(2S)-6-[[(1R)-1-carboxy-2-phenylethyl]amino]-2-hydroxy-5-oxohexanoic acid

C15H19NO6 — CID 146249457

IUPAC(2S)-6-[[(1R)-1-carboxy-2-phenylethyl]amino]-2-hydroxy-5-oxohexanoic acid
SMILESO=C(CC[C@H](O)C(=O)O)CN[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H19NO6/c17-11(6-7-13(18)15(21)22)9-16-12(14(19)20)8-10-4-2-1-3-5-10/h1-5,12-13,16,18H,6-9H2,(H,19,20)(H,21,22)/t12-,13+/m1/s1
InChIKeyOABPUWGJJPKVTF-OLZOCXBDSA-N
MW309.32 g/mol
LogP0.07
Rot. Bonds10

About (2S)-6-[[(1R)-1-carboxy-2-phenylethyl]amino]-2-hydroxy-5-oxohexanoic acid

(2S)-6-[[(1R)-1-carboxy-2-phenylethyl]amino]-2-hydroxy-5-oxohexanoic acid (PubChem CID 146249457) has the molecular formula C15H19NO6 and a molecular weight of 309.32 g/mol. Its IUPAC name is (2S)-6-[[(1R)-1-carboxy-2-phenylethyl]amino]-2-hydroxy-5-oxohexanoic acid.

Molecular Properties

Compound Name(2S)-6-[[(1R)-1-carboxy-2-phenylethyl]amino]-2-hydroxy-5-oxohexanoic acid
PubChem CID146249457
Molecular FormulaC15H19NO6
Molecular Weight309.32 g/mol
Exact Mass309.12
IUPAC Name(2S)-6-[[(1R)-1-carboxy-2-phenylethyl]amino]-2-hydroxy-5-oxohexanoic acid
SMILESO=C(CC[C@H](O)C(=O)O)CN[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H19NO6/c17-11(6-7-13(18)15(21)22)9-16-12(14(19)20)8-10-4-2-1-3-5-10/h1-5,12-13,16,18H,6-9H2,(H,19,20)(H,21,22)/t12-,13+/m1/s1
InChIKeyOABPUWGJJPKVTF-OLZOCXBDSA-N
XLogP0.07
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 50.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2S)-6-[[(1R)-1-carboxy-2-phenylethyl]amino]-2-hydroxy-5-oxohexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-6-[[(1R)-1-carboxy-2-phenylethyl]amino]-2-hydroxy-5-oxohexanoic acid?
The IUPAC name of (2S)-6-[[(1R)-1-carboxy-2-phenylethyl]amino]-2-hydroxy-5-oxohexanoic acid (CID 146249457) is (2S)-6-[[(1R)-1-carboxy-2-phenylethyl]amino]-2-hydroxy-5-oxohexanoic acid.
What is the SMILES notation for (2S)-6-[[(1R)-1-carboxy-2-phenylethyl]amino]-2-hydroxy-5-oxohexanoic acid?
The canonical SMILES for (2S)-6-[[(1R)-1-carboxy-2-phenylethyl]amino]-2-hydroxy-5-oxohexanoic acid is O=C(CC[C@H](O)C(=O)O)CN[C@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-6-[[(1R)-1-carboxy-2-phenylethyl]amino]-2-hydroxy-5-oxohexanoic acid?
The InChIKey is OABPUWGJJPKVTF-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H19NO6/c17-11(6-7-13(18)15(21)22)9-16-12(14(19)20)8-10-4-2-1-3-5-10/h1-5,12-13,16,18H,6-9H2,(H,19,20)(H,21,22)/t12-,13+/m1/s1.
What are the key properties of (2S)-6-[[(1R)-1-carboxy-2-phenylethyl]amino]-2-hydroxy-5-oxohexanoic acid?
(2S)-6-[[(1R)-1-carboxy-2-phenylethyl]amino]-2-hydroxy-5-oxohexanoic acid has a molecular weight of 309.32 g/mol, XLogP of 0.07, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-[[(1R)-1-carboxy-2-phenylethyl]amino]-2-hydroxy-5-oxohexanoic acid is sourced from PubChem (CID 146249457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).