3-hydroxy-2-[(4-methoxyphenyl)carbamoylamino]butanoic acid

C12H16N2O5 — CID 16772859

IUPAC3-hydroxy-2-[(4-methoxyphenyl)carbamoylamino]butanoic acid
SMILESCOc1ccc(NC(=O)NC(C(=O)O)C(C)O)cc1
InChIInChI=1S/C12H16N2O5/c1-7(15)10(11(16)17)14-12(18)13-8-3-5-9(19-2)6-4-8/h3-7,10,15H,1-2H3,(H,16,17)(H2,13,14,18)
InChIKeyZEAIBRQNRKKNPM-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.65
Rot. Bonds5

About 3-hydroxy-2-[(4-methoxyphenyl)carbamoylamino]butanoic acid

3-hydroxy-2-[(4-methoxyphenyl)carbamoylamino]butanoic acid (PubChem CID 16772859) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 3-hydroxy-2-[(4-methoxyphenyl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(4-methoxyphenyl)carbamoylamino]butanoic acid
PubChem CID16772859
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name3-hydroxy-2-[(4-methoxyphenyl)carbamoylamino]butanoic acid
SMILESCOc1ccc(NC(=O)NC(C(=O)O)C(C)O)cc1
InChIInChI=1S/C12H16N2O5/c1-7(15)10(11(16)17)14-12(18)13-8-3-5-9(19-2)6-4-8/h3-7,10,15H,1-2H3,(H,16,17)(H2,13,14,18)
InChIKeyZEAIBRQNRKKNPM-UHFFFAOYSA-N
XLogP0.65
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-acetamidophenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 61181993
(2S,3R)-3-hydroxy-2-[1-(4-methoxyphenyl)ethylcarbamoylamino]butanoic acid
CID 104966379
1-(4-methoxyphenyl)-3-propan-2-ylurea
CID 4616042
(2S,3R)-2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 104965870
2-[(4-ethylphenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 61189704
methyl (2S,3R)-2-[(4-methoxyphenyl)carbamoylamino]-3-methylpentanoate
CID 944653
1,3-bis(4-methoxyphenyl)urea
CID 139045428
2-[(4-methoxyphenyl)carbamoylamino]butanoic acid
CID 43469978
(2S,3R)-3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid
CID 104964890
3-hydroxy-2-[2-(4-methoxyphenoxy)propanoylamino]butanoic acid
CID 43353625
(2S)-2-(4-methoxyanilino)-3-methylbutanoic acid
CID 54496950
(2S)-2-[(4-methoxyphenyl)carbamoylamino]propanoate
CID 7647483

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(4-methoxyphenyl)carbamoylamino]butanoic acid?
The IUPAC name of 3-hydroxy-2-[(4-methoxyphenyl)carbamoylamino]butanoic acid (CID 16772859) is 3-hydroxy-2-[(4-methoxyphenyl)carbamoylamino]butanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(4-methoxyphenyl)carbamoylamino]butanoic acid?
The canonical SMILES for 3-hydroxy-2-[(4-methoxyphenyl)carbamoylamino]butanoic acid is COc1ccc(NC(=O)NC(C(=O)O)C(C)O)cc1.
What is the InChIKey of 3-hydroxy-2-[(4-methoxyphenyl)carbamoylamino]butanoic acid?
The InChIKey is ZEAIBRQNRKKNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-7(15)10(11(16)17)14-12(18)13-8-3-5-9(19-2)6-4-8/h3-7,10,15H,1-2H3,(H,16,17)(H2,13,14,18).
What are the key properties of 3-hydroxy-2-[(4-methoxyphenyl)carbamoylamino]butanoic acid?
3-hydroxy-2-[(4-methoxyphenyl)carbamoylamino]butanoic acid has a molecular weight of 268.27 g/mol, XLogP of 0.65, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(4-methoxyphenyl)carbamoylamino]butanoic acid is sourced from PubChem (CID 16772859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).