2-[(4-butylphenyl)carbamoylamino]-3-hydroxypropanoic acid

C14H20N2O4 — CID 61197493

IUPAC2-[(4-butylphenyl)carbamoylamino]-3-hydroxypropanoic acid
SMILESCCCCc1ccc(NC(=O)NC(CO)C(=O)O)cc1
InChIInChI=1S/C14H20N2O4/c1-2-3-4-10-5-7-11(8-6-10)15-14(20)16-12(9-17)13(18)19/h5-8,12,17H,2-4,9H2,1H3,(H,18,19)(H2,15,16,20)
InChIKeyPHEZHQFEYFJDHP-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.60
Rot. Bonds7

About 2-[(4-butylphenyl)carbamoylamino]-3-hydroxypropanoic acid

2-[(4-butylphenyl)carbamoylamino]-3-hydroxypropanoic acid (PubChem CID 61197493) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[(4-butylphenyl)carbamoylamino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[(4-butylphenyl)carbamoylamino]-3-hydroxypropanoic acid
PubChem CID61197493
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[(4-butylphenyl)carbamoylamino]-3-hydroxypropanoic acid
SMILESCCCCc1ccc(NC(=O)NC(CO)C(=O)O)cc1
InChIInChI=1S/C14H20N2O4/c1-2-3-4-10-5-7-11(8-6-10)15-14(20)16-12(9-17)13(18)19/h5-8,12,17H,2-4,9H2,1H3,(H,18,19)(H2,15,16,20)
InChIKeyPHEZHQFEYFJDHP-UHFFFAOYSA-N
XLogP1.60
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-butylphenyl)-3-pentan-3-ylurea
CID 17279678
2-[(4-butylphenyl)carbamoylamino]-3-methylpentanoic acid
CID 3939200
(2S)-2-[[4-(cyanomethyl)phenyl]carbamoylamino]-3-hydroxypropanoic acid
CID 62302036
4-[(4-butylphenyl)carbamoylamino]-2-methylbutanoic acid
CID 80537856
1-(4-butylphenyl)-3-(4-ethylphenyl)urea
CID 4616049
methyl (2R)-2-[(4-butylphenyl)carbamoylamino]propanoate
CID 7660335
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
1-(4-butylphenyl)-3-[(E)-3-methylbut-1-enyl]urea
CID 108910903
1-(4-bromophenyl)-3-(4-butylphenyl)urea
CID 108869207
methyl (2S)-2-[(4-butylphenyl)carbamoylamino]-3-methylbutanoate
CID 2022302
(2S)-3-methyl-2-[(4-propylphenyl)carbamoylamino]butanoic acid
CID 61197691
2-[4-(4-ethylphenyl)butanoylamino]-3-hydroxypropanoic acid
CID 82224311

Frequently Asked Questions

What is the IUPAC name of 2-[(4-butylphenyl)carbamoylamino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[(4-butylphenyl)carbamoylamino]-3-hydroxypropanoic acid (CID 61197493) is 2-[(4-butylphenyl)carbamoylamino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[(4-butylphenyl)carbamoylamino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[(4-butylphenyl)carbamoylamino]-3-hydroxypropanoic acid is CCCCc1ccc(NC(=O)NC(CO)C(=O)O)cc1.
What is the InChIKey of 2-[(4-butylphenyl)carbamoylamino]-3-hydroxypropanoic acid?
The InChIKey is PHEZHQFEYFJDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-2-3-4-10-5-7-11(8-6-10)15-14(20)16-12(9-17)13(18)19/h5-8,12,17H,2-4,9H2,1H3,(H,18,19)(H2,15,16,20).
What are the key properties of 2-[(4-butylphenyl)carbamoylamino]-3-hydroxypropanoic acid?
2-[(4-butylphenyl)carbamoylamino]-3-hydroxypropanoic acid has a molecular weight of 280.32 g/mol, XLogP of 1.60, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-butylphenyl)carbamoylamino]-3-hydroxypropanoic acid is sourced from PubChem (CID 61197493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).