(2S)-2-(carbamoyloxyamino)-3-phenylpropanoic acid

C10H12N2O4 — CID 87459321

IUPAC(2S)-2-(carbamoyloxyamino)-3-phenylpropanoic acid
SMILESNC(=O)ON[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C10H12N2O4/c11-10(15)16-12-8(9(13)14)6-7-4-2-1-3-5-7/h1-5,8,12H,6H2,(H2,11,15)(H,13,14)/t8-/m0/s1
InChIKeyASEZNKQPVRDCKW-QMMMGPOBSA-N
MW224.22 g/mol
LogP0.28
Rot. Bonds5

About (2S)-2-(carbamoyloxyamino)-3-phenylpropanoic acid

(2S)-2-(carbamoyloxyamino)-3-phenylpropanoic acid (PubChem CID 87459321) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is (2S)-2-(carbamoyloxyamino)-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-(carbamoyloxyamino)-3-phenylpropanoic acid
PubChem CID87459321
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name(2S)-2-(carbamoyloxyamino)-3-phenylpropanoic acid
SMILESNC(=O)ON[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C10H12N2O4/c11-10(15)16-12-8(9(13)14)6-7-4-2-1-3-5-7/h1-5,8,12H,6H2,(H2,11,15)(H,13,14)/t8-/m0/s1
InChIKeyASEZNKQPVRDCKW-QMMMGPOBSA-N
XLogP0.28
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S)-2-(carbamoyloxyamino)-3-phenylpropanoic 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

2-(2-aminoethoxyamino)-3-phenylpropanoic acid
CID 174702432
CID 59686548
CID 59686548
(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
CID 11989622
3-phenyl-2-(trifluoromethoxyamino)propanoic acid
CID 87603238
(2S)-2-(2-hydroxyethoxyamino)-3-phenylpropanoic acid
CID 174617548
(2S)-2-[(2-methylpropan-2-yl)oxyamino]-3-phenylpropanoic acid
CID 22799859
(2R)-3-phenyl-2-(phosphanylamino)propanoic acid
CID 70012014
3-phenyl-2-(prop-2-ynoxyamino)propanoic acid
CID 87081160
(2S)-3-phenyl-2-(prop-2-ynoxyamino)propanoic acid
CID 87081161
2-(1-azidoethoxyamino)-3-phenylpropanoic acid
CID 155060290
(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 6951135
(2S)-3-phenyl-2-[[(2R,3R,4R,5R)-2,3,4,5-tetracarbamoyloxy-6-hydroxyhexoxy]amino]propanoic acid
CID 90159484

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(carbamoyloxyamino)-3-phenylpropanoic acid?
The IUPAC name of (2S)-2-(carbamoyloxyamino)-3-phenylpropanoic acid (CID 87459321) is (2S)-2-(carbamoyloxyamino)-3-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-(carbamoyloxyamino)-3-phenylpropanoic acid?
The canonical SMILES for (2S)-2-(carbamoyloxyamino)-3-phenylpropanoic acid is NC(=O)ON[C@@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-(carbamoyloxyamino)-3-phenylpropanoic acid?
The InChIKey is ASEZNKQPVRDCKW-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12N2O4/c11-10(15)16-12-8(9(13)14)6-7-4-2-1-3-5-7/h1-5,8,12H,6H2,(H2,11,15)(H,13,14)/t8-/m0/s1.
What are the key properties of (2S)-2-(carbamoyloxyamino)-3-phenylpropanoic acid?
(2S)-2-(carbamoyloxyamino)-3-phenylpropanoic acid has a molecular weight of 224.22 g/mol, XLogP of 0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(carbamoyloxyamino)-3-phenylpropanoic acid is sourced from PubChem (CID 87459321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).