[(6S)-6-amino-2-methyl-5-oxo-7-phenylheptan-2-yl] formate

C15H21NO3 — CID 173322296

IUPAC[(6S)-6-amino-2-methyl-5-oxo-7-phenylheptan-2-yl] formate
SMILESCC(C)(CCC(=O)[C@@H](N)Cc1ccccc1)OC=O
InChIInChI=1S/C15H21NO3/c1-15(2,19-11-17)9-8-14(18)13(16)10-12-6-4-3-5-7-12/h3-7,11,13H,8-10,16H2,1-2H3/t13-/m0/s1
InChIKeyWJCZHEOGVWNXMR-ZDUSSCGKSA-N
MW263.34 g/mol
LogP1.86
Rot. Bonds8

About [(6S)-6-amino-2-methyl-5-oxo-7-phenylheptan-2-yl] formate

[(6S)-6-amino-2-methyl-5-oxo-7-phenylheptan-2-yl] formate (PubChem CID 173322296) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is [(6S)-6-amino-2-methyl-5-oxo-7-phenylheptan-2-yl] formate.

Molecular Properties

Compound Name[(6S)-6-amino-2-methyl-5-oxo-7-phenylheptan-2-yl] formate
PubChem CID173322296
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name[(6S)-6-amino-2-methyl-5-oxo-7-phenylheptan-2-yl] formate
SMILESCC(C)(CCC(=O)[C@@H](N)Cc1ccccc1)OC=O
InChIInChI=1S/C15H21NO3/c1-15(2,19-11-17)9-8-14(18)13(16)10-12-6-4-3-5-7-12/h3-7,11,13H,8-10,16H2,1-2H3/t13-/m0/s1
InChIKeyWJCZHEOGVWNXMR-ZDUSSCGKSA-N
XLogP1.86
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-5-hydroxy-1-phenylpentan-3-one;ethane
CID 143599875
(3S)-1,3-diamino-4-phenylbutan-2-one
CID 69216452
(2S,7S)-7-amino-2-benzyl-6-oxo-8-phenyloctanoic acid
CID 163793587
2-amino-5-ethoxy-1-phenylpentan-3-one
CID 129147916
2-amino-1-phenylheptan-3-one;hydrochloride
CID 142731464
3-amino-1,4-diphenylbutan-2-one
CID 20792391
(2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide
CID 21116073
2-amino-N-ethoxy-3-phenylpropanamide
CID 64974799
(2S)-2-amino-N-ethoxy-3-phenylpropanamide
CID 64974630
(6S)-6-amino-5-oxo-7-phenylheptanoic acid;hydrochloride
CID 67808687
2-amino-1-phenyldecan-3-one;hydrochloride
CID 3073894
(2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide
CID 83306119

Frequently Asked Questions

What is the IUPAC name of [(6S)-6-amino-2-methyl-5-oxo-7-phenylheptan-2-yl] formate?
The IUPAC name of [(6S)-6-amino-2-methyl-5-oxo-7-phenylheptan-2-yl] formate (CID 173322296) is [(6S)-6-amino-2-methyl-5-oxo-7-phenylheptan-2-yl] formate.
What is the SMILES notation for [(6S)-6-amino-2-methyl-5-oxo-7-phenylheptan-2-yl] formate?
The canonical SMILES for [(6S)-6-amino-2-methyl-5-oxo-7-phenylheptan-2-yl] formate is CC(C)(CCC(=O)[C@@H](N)Cc1ccccc1)OC=O.
What is the InChIKey of [(6S)-6-amino-2-methyl-5-oxo-7-phenylheptan-2-yl] formate?
The InChIKey is WJCZHEOGVWNXMR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21NO3/c1-15(2,19-11-17)9-8-14(18)13(16)10-12-6-4-3-5-7-12/h3-7,11,13H,8-10,16H2,1-2H3/t13-/m0/s1.
What are the key properties of [(6S)-6-amino-2-methyl-5-oxo-7-phenylheptan-2-yl] formate?
[(6S)-6-amino-2-methyl-5-oxo-7-phenylheptan-2-yl] formate has a molecular weight of 263.34 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-6-amino-2-methyl-5-oxo-7-phenylheptan-2-yl] formate is sourced from PubChem (CID 173322296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).