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

C15H22N2O3 — CID 62820744

IUPAC2-[ethyl-[ethyl(phenyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(C(=O)N(CC)C(C)(C)C(=O)O)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-5-16(12-10-8-7-9-11-12)14(20)17(6-2)15(3,4)13(18)19/h7-11H,5-6H2,1-4H3,(H,18,19)
InChIKeyIUGBRBYMRBZPPL-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.82
Rot. Bonds5

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

2-[ethyl-[ethyl(phenyl)carbamoyl]amino]-2-methylpropanoic acid (PubChem CID 62820744) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[ethyl-[ethyl(phenyl)carbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[ethyl(phenyl)carbamoyl]amino]-2-methylpropanoic acid
PubChem CID62820744
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[ethyl-[ethyl(phenyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(C(=O)N(CC)C(C)(C)C(=O)O)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-5-16(12-10-8-7-9-11-12)14(20)17(6-2)15(3,4)13(18)19/h7-11H,5-6H2,1-4H3,(H,18,19)
InChIKeyIUGBRBYMRBZPPL-UHFFFAOYSA-N
XLogP2.82
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-((1-Methylethyl)phenylamino)-2-oxoacetic acid
CID 155385
Glycine, N-acetyl-N-phenyl-
CID 68483
[(Anilinocarbonyl)amino]acetic acid
CID 230718
2-(3-methyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)acetic acid
CID 773560
(S)-2-[3-(4-Butyl-phenyl)-ureido]-propionic acid
CID 2033300
2-((Phenylcarbamoyl)amino)propanoic acid
CID 3854733
N-[(2-fluorophenyl)carbamoyl]-L-valine
CID 946864
N-[(2-ethylphenyl)carbamoyl]-L-alanine
CID 5389730
3-(1-Phenyl-ureido)-propionic acid
CID 768985
1-(N,N-diphenylcarbamoyl)-4-(N,N-di-n-pentylcarbamoyl)piperazine-2-carboxylic acid
CID 9870914
4-Dipentylcarbamoyl-1-diphenylcarbamoyl-piperazine-2-carboxylic acid
CID 22850669
Glycine, N-((methyl((phenylamino)carbonyl)amino)carbonyl)-, hydrate
CID 3059276

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[ethyl(phenyl)carbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-[ethyl(phenyl)carbamoyl]amino]-2-methylpropanoic acid (CID 62820744) is 2-[ethyl-[ethyl(phenyl)carbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[ethyl(phenyl)carbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-[ethyl(phenyl)carbamoyl]amino]-2-methylpropanoic acid is CCN(C(=O)N(CC)C(C)(C)C(=O)O)c1ccccc1.
What is the InChIKey of 2-[ethyl-[ethyl(phenyl)carbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is IUGBRBYMRBZPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-5-16(12-10-8-7-9-11-12)14(20)17(6-2)15(3,4)13(18)19/h7-11H,5-6H2,1-4H3,(H,18,19).
What are the key properties of 2-[ethyl-[ethyl(phenyl)carbamoyl]amino]-2-methylpropanoic acid?
2-[ethyl-[ethyl(phenyl)carbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[ethyl(phenyl)carbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62820744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).