4-[[butyl(ethyl)carbamoyl]amino]-2-methylbutanoic acid

C12H24N2O3 — CID 80540676

IUPAC4-[[butyl(ethyl)carbamoyl]amino]-2-methylbutanoic acid
SMILESCCCCN(CC)C(=O)NCCC(C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-4-6-9-14(5-2)12(17)13-8-7-10(3)11(15)16/h10H,4-9H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyFADQLJNLSVFPSS-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.93
Rot. Bonds8

About 4-[[butyl(ethyl)carbamoyl]amino]-2-methylbutanoic acid

4-[[butyl(ethyl)carbamoyl]amino]-2-methylbutanoic acid (PubChem CID 80540676) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 4-[[butyl(ethyl)carbamoyl]amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name4-[[butyl(ethyl)carbamoyl]amino]-2-methylbutanoic acid
PubChem CID80540676
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name4-[[butyl(ethyl)carbamoyl]amino]-2-methylbutanoic acid
SMILESCCCCN(CC)C(=O)NCCC(C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-4-6-9-14(5-2)12(17)13-8-7-10(3)11(15)16/h10H,4-9H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyFADQLJNLSVFPSS-UHFFFAOYSA-N
XLogP1.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[[butyl(ethyl)carbamoyl]amino]-2-methylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-4-[[pentyl(propan-2-yl)carbamoyl]amino]butanoic acid
CID 80541783
3-[ethyl(3-methylbutylcarbamoyl)amino]-2-methylpropanoic acid
CID 62852278
(2R)-2-[[butyl(ethyl)carbamoyl]amino]pentanoic acid
CID 107565990
2-[[butyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 61185864
5-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-2-methylpentanoic acid
CID 104686477
3-[ethyl(3-methylsulfanylbutylcarbamoyl)amino]-2-methylpropanoic acid
CID 113494161
3-butyl-1-[3-(diethylamino)propyl]-1-ethylurea
CID 102992273
3-[dibutylcarbamoyl(ethyl)amino]-2-methylpropanoic acid
CID 62853369
4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-2-methylbutanoic acid
CID 80541128
3-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]-2-methylpropanoic acid
CID 55105126
5-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpentanoic acid
CID 104686480
1,1-diethyl-3-(3-hydroxybutyl)urea
CID 79161473

Frequently Asked Questions

What is the IUPAC name of 4-[[butyl(ethyl)carbamoyl]amino]-2-methylbutanoic acid?
The IUPAC name of 4-[[butyl(ethyl)carbamoyl]amino]-2-methylbutanoic acid (CID 80540676) is 4-[[butyl(ethyl)carbamoyl]amino]-2-methylbutanoic acid.
What is the SMILES notation for 4-[[butyl(ethyl)carbamoyl]amino]-2-methylbutanoic acid?
The canonical SMILES for 4-[[butyl(ethyl)carbamoyl]amino]-2-methylbutanoic acid is CCCCN(CC)C(=O)NCCC(C)C(=O)O.
What is the InChIKey of 4-[[butyl(ethyl)carbamoyl]amino]-2-methylbutanoic acid?
The InChIKey is FADQLJNLSVFPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-4-6-9-14(5-2)12(17)13-8-7-10(3)11(15)16/h10H,4-9H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 4-[[butyl(ethyl)carbamoyl]amino]-2-methylbutanoic acid?
4-[[butyl(ethyl)carbamoyl]amino]-2-methylbutanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[butyl(ethyl)carbamoyl]amino]-2-methylbutanoic acid is sourced from PubChem (CID 80540676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).