(2S)-2-(carbamoylamino)-5-oxo-5-phenylmethoxypentanoic acid

C13H16N2O5 — CID 174272208

IUPAC(2S)-2-(carbamoylamino)-5-oxo-5-phenylmethoxypentanoic acid
SMILESNC(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)O
InChIInChI=1S/C13H16N2O5/c14-13(19)15-10(12(17)18)6-7-11(16)20-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,17,18)(H3,14,15,19)/t10-/m0/s1
InChIKeyGBOUGLPVDCFPCZ-JTQLQIEISA-N
MW280.28 g/mol
LogP0.63
Rot. Bonds7

About (2S)-2-(carbamoylamino)-5-oxo-5-phenylmethoxypentanoic acid

(2S)-2-(carbamoylamino)-5-oxo-5-phenylmethoxypentanoic acid (PubChem CID 174272208) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is (2S)-2-(carbamoylamino)-5-oxo-5-phenylmethoxypentanoic acid.

Molecular Properties

Compound Name(2S)-2-(carbamoylamino)-5-oxo-5-phenylmethoxypentanoic acid
PubChem CID174272208
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name(2S)-2-(carbamoylamino)-5-oxo-5-phenylmethoxypentanoic acid
SMILESNC(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)O
InChIInChI=1S/C13H16N2O5/c14-13(19)15-10(12(17)18)6-7-11(16)20-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,17,18)(H3,14,15,19)/t10-/m0/s1
InChIKeyGBOUGLPVDCFPCZ-JTQLQIEISA-N
XLogP0.63
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(carbamoylamino)-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

Related Compounds

(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-oxo-5-phenylmethoxypentanoyl]amino]-5-oxo-5-phenylmethoxypentanoyl]amino]-5-oxo-5-phenylmethoxypentanoic acid
CID 131739350
5-oxo-5-phenylmethoxy-2-(propan-2-yloxycarbonylamino)pentanoic acid
CID 143664209
(2S)-5-oxo-2-(phenylmethoxycarbonylamino)-5-prop-2-enoxypentanoic acid
CID 102479995
(2S)-2-[(3-oxo-3-phenylmethoxypropyl)amino]pentanedioic acid
CID 67577410
sodium;(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid;hydride
CID 173433388
benzyl (4R)-5-amino-4-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoate
CID 12873811
2-[4-carboxy-4-(phenylmethoxycarbonylamino)butanoyl]oxyethyl-trimethylazanium
CID 13474837
5-butoxy-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 71289865
dibenzyl 2-[(5-oxo-5-phenylmethoxypentanoyl)amino]pentanedioate
CID 123256099
benzyl (4R)-5-amino-4-(2-aminobutanoylamino)-5-oxopentanoate
CID 22814955
(2R)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-5-oxo-5-phenylmethoxypentanoic acid
CID 11036964
dibenzyl (2S)-2-(phenoxycarbonylamino)pentanedioate
CID 14420383

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(carbamoylamino)-5-oxo-5-phenylmethoxypentanoic acid?
The IUPAC name of (2S)-2-(carbamoylamino)-5-oxo-5-phenylmethoxypentanoic acid (CID 174272208) is (2S)-2-(carbamoylamino)-5-oxo-5-phenylmethoxypentanoic acid.
What is the SMILES notation for (2S)-2-(carbamoylamino)-5-oxo-5-phenylmethoxypentanoic acid?
The canonical SMILES for (2S)-2-(carbamoylamino)-5-oxo-5-phenylmethoxypentanoic acid is NC(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-(carbamoylamino)-5-oxo-5-phenylmethoxypentanoic acid?
The InChIKey is GBOUGLPVDCFPCZ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16N2O5/c14-13(19)15-10(12(17)18)6-7-11(16)20-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,17,18)(H3,14,15,19)/t10-/m0/s1.
What are the key properties of (2S)-2-(carbamoylamino)-5-oxo-5-phenylmethoxypentanoic acid?
(2S)-2-(carbamoylamino)-5-oxo-5-phenylmethoxypentanoic acid has a molecular weight of 280.28 g/mol, XLogP of 0.63, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(carbamoylamino)-5-oxo-5-phenylmethoxypentanoic acid is sourced from PubChem (CID 174272208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).