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methyl (2S)-2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoate

HCID 6452452
NotesReactions
Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
52616-82-7
Standard SMILES
COC(=O)[C@@H](N)Cc1ccc(OC(C)(C)C)cc1
InChIKey
AORVWDJGVFCGOW-LBPRGKRZSA-N
Molecular formula
C14H21NO3
Average molar mass
251.32 g/mol
Monoisotopic mass
251.15214353

Names & identifiers

Preferred name
methyl (2S)-2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoate
IUPAC
methyl (2S)-2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoate
English name
L-Tyrosine, O-(1,1-diMethylethyl)-, Methyl ester
Molecular formula
C14H21NO3
Molecular weight
251.32

Names & synonyms

52616-82-7L-Tyrosine, O-(1,1-dimethylethyl)-, methyl estermethyl (2S)-2-amino-3-[4-(tert-butoxy)phenyl]propanoatemethyl (2S)-2-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoateH-Tyr(tBu)-OmeO-(1,1-Dimethylethyl)-L-tyrosine methyl esterSCHEMBL2058886O-tert-Butyltyrosine methyl esterAORVWDJGVFCGOW-LBPRGKRZSA-N6WC7ZC2648o-tert-butyl-l-tyrosine methyl esterAKOS028112418
Show more names
L-Tyr(O-tBu)-OMe
EN300-7536200Methyl (S)-2-amino-3-(4-(tert-butoxy)phenyl)propanoate2(s)-amino-3-(4-tert-butoxy-phenyl)-propionic acid methyl ester

Database identifiers

CAS
52616-82-7
PubChem CID
6452452
UNII
6WC7ZC2648
Nikkaji
J264.839C

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
61.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
18
Formal charge
0
Complexity
265

Chemistry & industry

Suppliers4 total

北京依凯诺医药技术开发有限公司18518619637 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
DONBOO AMINO ACID COMPANY13063595538 · [email protected]

Related reactions

1 records
New reaction record
HRID 2230307 reaction equation
HRID 2230307As reactantuspto-grants-2002_07

Compound notes

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On this pageBasic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes