Phenylalanine-N-carboxylic acid dimethyl ester

HCID 144387
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Basic information

CAS
70288-75-4
Standard SMILES
COC(=O)NC(Cc1ccccc1)C(=O)OC
InChIKey
JIHFRPSFLTXYEP-JTQLQIEISA-N
Molecular formula
C12H15NO4
Average molar mass
237.25 g/mol

Names & identifiers

Preferred name
Phenylalanine-N-carboxylic acid dimethyl ester
IUPAC
methyl 2-(methoxycarbonylamino)-3-phenylpropanoate
English name
Phenylalanine-N-carboxylic acid dimethyl ester
Molecular formula
C12H15NO4
Molecular weight
237.25

Names & synonyms

Phenylalanine-N-carboxylic acid dimethyl ester70288-75-4methyl 2-(methoxycarbonylamino)-3-phenylpropanoateSCHEMBL7806984Phenylalanine, N-(methoxycarbonyl)-, methyl esterMethyl (2s)-2-(Methoxycarbonylamino)-3- Phenylpropanoate

Database identifiers

CAS
70288-75-4
PubChem CID
144387

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
64.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
17

Physicochemical properties

Boiling point
377.4 · 377.4±35.0 °C(Predicted)
Density
1.16 · 1.160±0.06 g/cm3(Predicted)
pka
10.91 · 10.91±0.46(Predicted)

Chemistry & industry

Upstream & downstream products

Suppliers4 total

天津安浩生物科技有限公司[email protected]
江阴康源生物医药科技有限公司0510-86010668 · [email protected]
江苏洪珉药业有限公司18221292452 · [email protected]
天津安浩生物科技有限公司02284840027 18602254930 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

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