(2R)-2-amino-5-oxo-5-phenylmethoxypentanoic acid

C12H15NO4 — CID 6994624

IUPAC(2R)-2-amino-5-oxo-5-phenylmethoxypentanoic acid
SMILESN[C@H](CCC(=O)OCc1ccccc1)C(=O)O
InChIInChI=1S/C12H15NO4/c13-10(12(15)16)6-7-11(14)17-8-9-4-2-1-3-5-9/h1-5,10H,6-8,13H2,(H,15,16)/t10-/m1/s1
InChIKeyBGGHCRNCRWQABU-SNVBAGLBSA-N
MW237.26 g/mol
LogP0.92
Rot. Bonds6

About (2R)-2-amino-5-oxo-5-phenylmethoxypentanoic acid

(2R)-2-amino-5-oxo-5-phenylmethoxypentanoic acid (PubChem CID 6994624) has the molecular formula C12H15NO4 and a molecular weight of 237.26 g/mol. Its IUPAC name is (2R)-2-amino-5-oxo-5-phenylmethoxypentanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-5-oxo-5-phenylmethoxypentanoic acid
PubChem CID6994624
Molecular FormulaC12H15NO4
Molecular Weight237.26 g/mol
Exact Mass237.10
IUPAC Name(2R)-2-amino-5-oxo-5-phenylmethoxypentanoic acid
SMILESN[C@H](CCC(=O)OCc1ccccc1)C(=O)O
InChIInChI=1S/C12H15NO4/c13-10(12(15)16)6-7-11(14)17-8-9-4-2-1-3-5-9/h1-5,10H,6-8,13H2,(H,15,16)/t10-/m1/s1
InChIKeyBGGHCRNCRWQABU-SNVBAGLBSA-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

Analyze (2R)-2-amino-5-oxo-5-phenylmethoxypentanoic 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 (2R)-2-amino-5-oxo-5-phenylmethoxypentanoic acid?
The IUPAC name of (2R)-2-amino-5-oxo-5-phenylmethoxypentanoic acid (CID 6994624) is (2R)-2-amino-5-oxo-5-phenylmethoxypentanoic acid.
What is the SMILES notation for (2R)-2-amino-5-oxo-5-phenylmethoxypentanoic acid?
The canonical SMILES for (2R)-2-amino-5-oxo-5-phenylmethoxypentanoic acid is N[C@H](CCC(=O)OCc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-amino-5-oxo-5-phenylmethoxypentanoic acid?
The InChIKey is BGGHCRNCRWQABU-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15NO4/c13-10(12(15)16)6-7-11(14)17-8-9-4-2-1-3-5-9/h1-5,10H,6-8,13H2,(H,15,16)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-5-oxo-5-phenylmethoxypentanoic acid?
(2R)-2-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 (2R)-2-amino-5-oxo-5-phenylmethoxypentanoic acid is sourced from PubChem (CID 6994624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).