(2R)-2-(2-hydroxyethylamino)-4-oxo-4-[[(1S)-1-phenylethyl]amino]butanoic acid

C14H20N2O4 — CID 27305991

IUPAC(2R)-2-(2-hydroxyethylamino)-4-oxo-4-[[(1S)-1-phenylethyl]amino]butanoic acid
SMILESC[C@H](NC(=O)C[C@@H](NCCO)C(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O4/c1-10(11-5-3-2-4-6-11)16-13(18)9-12(14(19)20)15-7-8-17/h2-6,10,12,15,17H,7-9H2,1H3,(H,16,18)(H,19,20)/t10-,12+/m0/s1
InChIKeyQLNSYTMSXJSFRR-CMPLNLGQSA-N
MW280.32 g/mol
LogP0.29
Rot. Bonds8

About (2R)-2-(2-hydroxyethylamino)-4-oxo-4-[[(1S)-1-phenylethyl]amino]butanoic acid

(2R)-2-(2-hydroxyethylamino)-4-oxo-4-[[(1S)-1-phenylethyl]amino]butanoic acid (PubChem CID 27305991) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is (2R)-2-(2-hydroxyethylamino)-4-oxo-4-[[(1S)-1-phenylethyl]amino]butanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-hydroxyethylamino)-4-oxo-4-[[(1S)-1-phenylethyl]amino]butanoic acid
PubChem CID27305991
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name(2R)-2-(2-hydroxyethylamino)-4-oxo-4-[[(1S)-1-phenylethyl]amino]butanoic acid
SMILESC[C@H](NC(=O)C[C@@H](NCCO)C(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O4/c1-10(11-5-3-2-4-6-11)16-13(18)9-12(14(19)20)15-7-8-17/h2-6,10,12,15,17H,7-9H2,1H3,(H,16,18)(H,19,20)/t10-,12+/m0/s1
InChIKeyQLNSYTMSXJSFRR-CMPLNLGQSA-N
XLogP0.29
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(2-hydroxyethylamino)-4-oxo-4-[[(1S)-1-phenylethyl]amino]butanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-2-methyl-N,N'-bis[(1R)-1-phenylethyl]butanediamide
CID 42563153
3-phenyl-N-(1-phenylethyl)butanamide
CID 85158546
2-amino-4-oxo-4-(1-phenylethylamino)butanoic acid
CID 67359772
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108
4-hydroxy-2-(1-phenylethylcarbamoylamino)butanoic acid
CID 61244988
(2S)-3-hydroxy-2-(1-phenylethylcarbamoylamino)propanoic acid
CID 61189105
4-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 70328531
N-(1-phenylethyl)-3-trimethylsilylbutanamide
CID 101207602
(3R)-3-(hydroxymethyl)-N-[(1S)-1-phenylethyl]hexanamide
CID 154648376
(3S)-4,4,4-trichloro-3-hydroxy-N-[(1R)-1-phenylethyl]butanamide
CID 2412800
(3R)-3-methyl-5-oxo-5-[[(1S)-1-phenylethyl]amino]pentanoate
CID 7321191
2-fluoro-N-(1-phenylethyl)acetamide
CID 10329953

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-hydroxyethylamino)-4-oxo-4-[[(1S)-1-phenylethyl]amino]butanoic acid?
The IUPAC name of (2R)-2-(2-hydroxyethylamino)-4-oxo-4-[[(1S)-1-phenylethyl]amino]butanoic acid (CID 27305991) is (2R)-2-(2-hydroxyethylamino)-4-oxo-4-[[(1S)-1-phenylethyl]amino]butanoic acid.
What is the SMILES notation for (2R)-2-(2-hydroxyethylamino)-4-oxo-4-[[(1S)-1-phenylethyl]amino]butanoic acid?
The canonical SMILES for (2R)-2-(2-hydroxyethylamino)-4-oxo-4-[[(1S)-1-phenylethyl]amino]butanoic acid is C[C@H](NC(=O)C[C@@H](NCCO)C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-(2-hydroxyethylamino)-4-oxo-4-[[(1S)-1-phenylethyl]amino]butanoic acid?
The InChIKey is QLNSYTMSXJSFRR-CMPLNLGQSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10(11-5-3-2-4-6-11)16-13(18)9-12(14(19)20)15-7-8-17/h2-6,10,12,15,17H,7-9H2,1H3,(H,16,18)(H,19,20)/t10-,12+/m0/s1.
What are the key properties of (2R)-2-(2-hydroxyethylamino)-4-oxo-4-[[(1S)-1-phenylethyl]amino]butanoic acid?
(2R)-2-(2-hydroxyethylamino)-4-oxo-4-[[(1S)-1-phenylethyl]amino]butanoic acid has a molecular weight of 280.32 g/mol, XLogP of 0.29, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-hydroxyethylamino)-4-oxo-4-[[(1S)-1-phenylethyl]amino]butanoic acid is sourced from PubChem (CID 27305991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).