N-(tert-butoxycarbonyl)-N-methylleucine

HCID 333436

Notes Reactions

Completing data — usually done within a minute

Substructure search Find similar structures

Basic information

CAS: 53363-89-6
Standard SMILES: CC(C)CC(C(=O)O)N(C)C(=O)OC(C)(C)C
InChIKey: YXJFAOXATCRIKU-UHFFFAOYSA-N
Molecular formula: C12H23NO4
Average molar mass: 245.32 g/mol
Monoisotopic mass: 245.16270821

Names & identifiers

Preferred name: N-(tert-butoxycarbonyl)-N-methylleucine
IUPAC: 4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid

Names & synonyms

Boc-N-methyl-DL-Leucine13734-32-2Boc-DL-Ala(tBu)-OHN-(tert-butoxycarbonyl)-N-methylleucineBoc-Nalpha-methyl-D-leucineMFCD00480937(2S)-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acidNSC3343234-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acidBoc-Nalpha-methyl-L-leucineSCHEMBL670312-[tert-butoxycarbonyl(methyl)amino]-4-methyl-pentanoic acid

Show more names

MFCD35057687MFCD35057689STK005801AKOS005375351NSC-334323LS-14150PD196690SY315216

Database identifiers

CAS: 53363-89-6
PubChem CID: 333436

Properties

Computed structural propertiesFilling in

XLogP: 2.4
Topological polar surface area: 66.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 17
Formal charge: 0
Complexity: 281

Related reactions

6 records

New reaction record

HRID 156795As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 202803As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 1113109As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1213342As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1394970As reactantCoupling of α-carboxyl sp3-carbons with aryl halides

HRID 2324066As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

Loading…