(4S)-4-amino-5-oxo-5-phenylmethoxypentanoic acid

C12H15NO4 — CID 7009632

IUPAC(4S)-4-amino-5-oxo-5-phenylmethoxypentanoic acid
SMILESN[C@@H](CCC(=O)O)C(=O)OCc1ccccc1
InChIInChI=1S/C12H15NO4/c13-10(6-7-11(14)15)12(16)17-8-9-4-2-1-3-5-9/h1-5,10H,6-8,13H2,(H,14,15)/t10-/m0/s1
InChIKeyHFZKKJHBHCZXTQ-JTQLQIEISA-N
MW237.26 g/mol
LogP0.92
Rot. Bonds6

About (4S)-4-amino-5-oxo-5-phenylmethoxypentanoic acid

(4S)-4-amino-5-oxo-5-phenylmethoxypentanoic acid (PubChem CID 7009632) has the molecular formula C12H15NO4 and a molecular weight of 237.26 g/mol. Its IUPAC name is (4S)-4-amino-5-oxo-5-phenylmethoxypentanoic acid.

Molecular Properties

Compound Name(4S)-4-amino-5-oxo-5-phenylmethoxypentanoic acid
PubChem CID7009632
Molecular FormulaC12H15NO4
Molecular Weight237.26 g/mol
Exact Mass237.10
IUPAC Name(4S)-4-amino-5-oxo-5-phenylmethoxypentanoic acid
SMILESN[C@@H](CCC(=O)O)C(=O)OCc1ccccc1
InChIInChI=1S/C12H15NO4/c13-10(6-7-11(14)15)12(16)17-8-9-4-2-1-3-5-9/h1-5,10H,6-8,13H2,(H,14,15)/t10-/m0/s1
InChIKeyHFZKKJHBHCZXTQ-JTQLQIEISA-N
XLogP0.92
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-amino-5-oxo-5-phenylmethoxypentanoate
CID 53249735
1-O-benzyl 5-O-methyl (2S)-2-aminopentanedioate
CID 56777388
(2R)-2,5-diamino-6-oxo-6-phenylmethoxyhexanoic acid
CID 57323834
benzyl (2S)-2-amino-4-bromobutanoate
CID 67264849
benzyl 2-amino-4-bromobutanoate
CID 18467389
benzyl 2-amino-4-iodobutanoate
CID 141050594
(6S)-2,6-diamino-7-oxo-7-phenylmethoxyheptanoic acid
CID 70487944
5-O-benzyl 1-O-ethyl (2R)-2-aminopentanedioate
CID 57177294
benzyl (2S)-2-amino-5-(ethylamino)-5-oxopentanoate
CID 141344098
1-O-benzyl 5-O-tert-butyl 2-aminopentanedioate;hydrochloride
CID 118797500
benzyl 2,3-diaminopropanoate
CID 19891176
benzyl 2-amino-4-methoxybutanoate
CID 62479875

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-oxo-5-phenylmethoxypentanoic acid?
The IUPAC name of (4S)-4-amino-5-oxo-5-phenylmethoxypentanoic acid (CID 7009632) is (4S)-4-amino-5-oxo-5-phenylmethoxypentanoic acid.
What is the SMILES notation for (4S)-4-amino-5-oxo-5-phenylmethoxypentanoic acid?
The canonical SMILES for (4S)-4-amino-5-oxo-5-phenylmethoxypentanoic acid is N[C@@H](CCC(=O)O)C(=O)OCc1ccccc1.
What is the InChIKey of (4S)-4-amino-5-oxo-5-phenylmethoxypentanoic acid?
The InChIKey is HFZKKJHBHCZXTQ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15NO4/c13-10(6-7-11(14)15)12(16)17-8-9-4-2-1-3-5-9/h1-5,10H,6-8,13H2,(H,14,15)/t10-/m0/s1.
What are the key properties of (4S)-4-amino-5-oxo-5-phenylmethoxypentanoic acid?
(4S)-4-amino-5-oxo-5-phenylmethoxypentanoic acid has a molecular weight of 237.26 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-oxo-5-phenylmethoxypentanoic acid is sourced from PubChem (CID 7009632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).