2-[[ethyl(phenyl)carbamoyl]amino]butanoic acid

C13H18N2O3 — CID 61191471

IUPAC2-[[ethyl(phenyl)carbamoyl]amino]butanoic acid
SMILESCCC(NC(=O)N(CC)c1ccccc1)C(=O)O
InChIInChI=1S/C13H18N2O3/c1-3-11(12(16)17)14-13(18)15(4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyMZKPUOXSTPHTQM-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.09
Rot. Bonds5

About 2-[[ethyl(phenyl)carbamoyl]amino]butanoic acid

2-[[ethyl(phenyl)carbamoyl]amino]butanoic acid (PubChem CID 61191471) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[[ethyl(phenyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[ethyl(phenyl)carbamoyl]amino]butanoic acid
PubChem CID61191471
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[[ethyl(phenyl)carbamoyl]amino]butanoic acid
SMILESCCC(NC(=O)N(CC)c1ccccc1)C(=O)O
InChIInChI=1S/C13H18N2O3/c1-3-11(12(16)17)14-13(18)15(4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyMZKPUOXSTPHTQM-UHFFFAOYSA-N
XLogP2.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[ethyl(phenyl)carbamoyl]amino]pentanedioic acid
CID 61191995
3-[[ethyl(phenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62670102
(2S)-2-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 107737365
methyl (2S,3R)-2-[[ethyl(phenyl)carbamoyl]amino]-3-methylpentanoate
CID 41118317
(2S)-4-amino-2-[[ethyl-(4-methylphenyl)carbamoyl]amino]-4-oxobutanoic acid
CID 63717562
(2R)-2-[[ethyl-(4-fluorophenyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 107827402
methyl 2-[[ethyl(phenyl)carbamoyl]amino]-4-methylsulfanylbutanoate
CID 73401856
(2R)-4-amino-2-[[ethyl-(4-fluorophenyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107827403
(2S)-2-[[ethyl-(3-fluorophenyl)carbamoyl]amino]hexanoic acid
CID 107145902
(2R)-2-[[ethyl-(2-methylphenyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 80749854
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
2-[[ethyl-(3-methylphenyl)carbamoyl]amino]-3-methylpentanoic acid
CID 61208845

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(phenyl)carbamoyl]amino]butanoic acid?
The IUPAC name of 2-[[ethyl(phenyl)carbamoyl]amino]butanoic acid (CID 61191471) is 2-[[ethyl(phenyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 2-[[ethyl(phenyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 2-[[ethyl(phenyl)carbamoyl]amino]butanoic acid is CCC(NC(=O)N(CC)c1ccccc1)C(=O)O.
What is the InChIKey of 2-[[ethyl(phenyl)carbamoyl]amino]butanoic acid?
The InChIKey is MZKPUOXSTPHTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-11(12(16)17)14-13(18)15(4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-[[ethyl(phenyl)carbamoyl]amino]butanoic acid?
2-[[ethyl(phenyl)carbamoyl]amino]butanoic acid has a molecular weight of 250.30 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(phenyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 61191471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).