3-hydroxy-2-[(3-propan-2-ylphenyl)carbamoylamino]propanoic acid

C13H18N2O4 — CID 61196687

IUPAC3-hydroxy-2-[(3-propan-2-ylphenyl)carbamoylamino]propanoic acid
SMILESCC(C)c1cccc(NC(=O)NC(CO)C(=O)O)c1
InChIInChI=1S/C13H18N2O4/c1-8(2)9-4-3-5-10(6-9)14-13(19)15-11(7-16)12(17)18/h3-6,8,11,16H,7H2,1-2H3,(H,17,18)(H2,14,15,19)
InChIKeyUWXIMEVJTZJTIO-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.38
Rot. Bonds5

About 3-hydroxy-2-[(3-propan-2-ylphenyl)carbamoylamino]propanoic acid

3-hydroxy-2-[(3-propan-2-ylphenyl)carbamoylamino]propanoic acid (PubChem CID 61196687) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-hydroxy-2-[(3-propan-2-ylphenyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(3-propan-2-ylphenyl)carbamoylamino]propanoic acid
PubChem CID61196687
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name3-hydroxy-2-[(3-propan-2-ylphenyl)carbamoylamino]propanoic acid
SMILESCC(C)c1cccc(NC(=O)NC(CO)C(=O)O)c1
InChIInChI=1S/C13H18N2O4/c1-8(2)9-4-3-5-10(6-9)14-13(19)15-11(7-16)12(17)18/h3-6,8,11,16H,7H2,1-2H3,(H,17,18)(H2,14,15,19)
InChIKeyUWXIMEVJTZJTIO-UHFFFAOYSA-N
XLogP1.38
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2-[(3-propan-2-ylphenyl)carbamoylamino]butanoic acid
CID 62480410
1-propan-2-yl-3-(3-propan-2-ylphenyl)urea
CID 47173712
3-methyl-2-[(3-propan-2-ylphenyl)carbamoylamino]butanoic acid
CID 61196314
(2S,3R)-3-hydroxy-2-[(3-propan-2-ylphenyl)carbamoylamino]butanoic acid
CID 104965833
(2S,3S)-3-methyl-2-[(3-propan-2-ylphenyl)carbamoylamino]pentanoic acid
CID 61194996
(2R)-3-hydroxy-2-[(3-sulfamoylphenyl)carbamoylamino]propanoic acid
CID 80750323
(2R)-2-[(3-acetamidophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107825806
2-[(3-acetamidophenyl)carbamoylamino]-4-methylpentanoic acid
CID 4909714
1-(4-hydroxy-1-methylsulfanylbutan-2-yl)-3-(3-propan-2-ylphenyl)urea
CID 111452874
(2S)-3-hydroxy-2-[(3-thiophen-2-ylphenyl)carbamoylamino]propanoic acid
CID 154797426
1-(1-cyclopropylethyl)-3-(3-propan-2-ylphenyl)urea
CID 47133190
(2S)-2-[(3,5-dimethylphenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61191039

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(3-propan-2-ylphenyl)carbamoylamino]propanoic acid?
The IUPAC name of 3-hydroxy-2-[(3-propan-2-ylphenyl)carbamoylamino]propanoic acid (CID 61196687) is 3-hydroxy-2-[(3-propan-2-ylphenyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(3-propan-2-ylphenyl)carbamoylamino]propanoic acid?
The canonical SMILES for 3-hydroxy-2-[(3-propan-2-ylphenyl)carbamoylamino]propanoic acid is CC(C)c1cccc(NC(=O)NC(CO)C(=O)O)c1.
What is the InChIKey of 3-hydroxy-2-[(3-propan-2-ylphenyl)carbamoylamino]propanoic acid?
The InChIKey is UWXIMEVJTZJTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8(2)9-4-3-5-10(6-9)14-13(19)15-11(7-16)12(17)18/h3-6,8,11,16H,7H2,1-2H3,(H,17,18)(H2,14,15,19).
What are the key properties of 3-hydroxy-2-[(3-propan-2-ylphenyl)carbamoylamino]propanoic acid?
3-hydroxy-2-[(3-propan-2-ylphenyl)carbamoylamino]propanoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.38, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(3-propan-2-ylphenyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 61196687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).