2-[(4-ethylphenyl)carbamoylamino]-3-hydroxybutanoic acid

C13H18N2O4 — CID 61189704

IUPAC2-[(4-ethylphenyl)carbamoylamino]-3-hydroxybutanoic acid
SMILESCCc1ccc(NC(=O)NC(C(=O)O)C(C)O)cc1
InChIInChI=1S/C13H18N2O4/c1-3-9-4-6-10(7-5-9)14-13(19)15-11(8(2)16)12(17)18/h4-8,11,16H,3H2,1-2H3,(H,17,18)(H2,14,15,19)
InChIKeyVMNGBTDZXRMZDJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.20
Rot. Bonds5

About 2-[(4-ethylphenyl)carbamoylamino]-3-hydroxybutanoic acid

2-[(4-ethylphenyl)carbamoylamino]-3-hydroxybutanoic acid (PubChem CID 61189704) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[(4-ethylphenyl)carbamoylamino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(4-ethylphenyl)carbamoylamino]-3-hydroxybutanoic acid
PubChem CID61189704
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[(4-ethylphenyl)carbamoylamino]-3-hydroxybutanoic acid
SMILESCCc1ccc(NC(=O)NC(C(=O)O)C(C)O)cc1
InChIInChI=1S/C13H18N2O4/c1-3-9-4-6-10(7-5-9)14-13(19)15-11(8(2)16)12(17)18/h4-8,11,16H,3H2,1-2H3,(H,17,18)(H2,14,15,19)
InChIKeyVMNGBTDZXRMZDJ-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-acetamidophenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 61181993
2-[(4-ethylphenyl)carbamoylamino]propanoic acid
CID 4026936
(2S,3R)-2-[(4-ethylphenyl)methylcarbamoylamino]-3-hydroxybutanoic acid
CID 106900426
3-hydroxy-2-[(4-methoxyphenyl)carbamoylamino]butanoic acid
CID 16772859
3-[(4-ethylphenyl)carbamoylamino]butanoic acid
CID 61190715
(2S)-3-methyl-2-[(4-propylphenyl)carbamoylamino]butanoic acid
CID 61197691
2-[(4-ethylphenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 61190716
4-[(4-ethylphenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107838166
2-[(4-butylphenyl)carbamoylamino]-3-methylpentanoic acid
CID 3939200
4-ethyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38175728
1-(1-cyclopropylethyl)-3-(4-ethylphenyl)urea
CID 47133172
(2S,3R)-2-[(3-bromo-4-fluorophenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 104966571

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylphenyl)carbamoylamino]-3-hydroxybutanoic acid?
The IUPAC name of 2-[(4-ethylphenyl)carbamoylamino]-3-hydroxybutanoic acid (CID 61189704) is 2-[(4-ethylphenyl)carbamoylamino]-3-hydroxybutanoic acid.
What is the SMILES notation for 2-[(4-ethylphenyl)carbamoylamino]-3-hydroxybutanoic acid?
The canonical SMILES for 2-[(4-ethylphenyl)carbamoylamino]-3-hydroxybutanoic acid is CCc1ccc(NC(=O)NC(C(=O)O)C(C)O)cc1.
What is the InChIKey of 2-[(4-ethylphenyl)carbamoylamino]-3-hydroxybutanoic acid?
The InChIKey is VMNGBTDZXRMZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-9-4-6-10(7-5-9)14-13(19)15-11(8(2)16)12(17)18/h4-8,11,16H,3H2,1-2H3,(H,17,18)(H2,14,15,19).
What are the key properties of 2-[(4-ethylphenyl)carbamoylamino]-3-hydroxybutanoic acid?
2-[(4-ethylphenyl)carbamoylamino]-3-hydroxybutanoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.20, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylphenyl)carbamoylamino]-3-hydroxybutanoic acid is sourced from PubChem (CID 61189704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).