2-(dibutylcarbamoylamino)-2-methylbutanoic acid

C14H28N2O3 — CID 79798187

IUPAC2-(dibutylcarbamoylamino)-2-methylbutanoic acid
SMILESCCCCN(CCCC)C(=O)NC(C)(CC)C(=O)O
InChIInChI=1S/C14H28N2O3/c1-5-8-10-16(11-9-6-2)13(19)15-14(4,7-3)12(17)18/h5-11H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyOHGUQEHEULDZBC-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.85
Rot. Bonds9

About 2-(dibutylcarbamoylamino)-2-methylbutanoic acid

2-(dibutylcarbamoylamino)-2-methylbutanoic acid (PubChem CID 79798187) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-(dibutylcarbamoylamino)-2-methylbutanoic acid.

Molecular Properties

Compound Name2-(dibutylcarbamoylamino)-2-methylbutanoic acid
PubChem CID79798187
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-(dibutylcarbamoylamino)-2-methylbutanoic acid
SMILESCCCCN(CCCC)C(=O)NC(C)(CC)C(=O)O
InChIInChI=1S/C14H28N2O3/c1-5-8-10-16(11-9-6-2)13(19)15-14(4,7-3)12(17)18/h5-11H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyOHGUQEHEULDZBC-UHFFFAOYSA-N
XLogP2.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(dibutylcarbamoylamino)-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-[[butyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpentanoic acid
CID 61447381
1,1-dibutyl-3-tert-butylurea
CID 11413547
3-(dibutylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65266173
2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79800793
2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79799061
3-(dibutylcarbamoylamino)-2,2-dimethylpropanoic acid
CID 115428326
2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79801986
2-[[2-hydroxypropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79800841
2-methyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 79800950
(2S)-2-acetamido-2-methylbutanoic acid
CID 71355971
2-methyl-2-(nonylcarbamoylamino)butanoic acid
CID 43129072
2-[[cyclopropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79801490

Frequently Asked Questions

What is the IUPAC name of 2-(dibutylcarbamoylamino)-2-methylbutanoic acid?
The IUPAC name of 2-(dibutylcarbamoylamino)-2-methylbutanoic acid (CID 79798187) is 2-(dibutylcarbamoylamino)-2-methylbutanoic acid.
What is the SMILES notation for 2-(dibutylcarbamoylamino)-2-methylbutanoic acid?
The canonical SMILES for 2-(dibutylcarbamoylamino)-2-methylbutanoic acid is CCCCN(CCCC)C(=O)NC(C)(CC)C(=O)O.
What is the InChIKey of 2-(dibutylcarbamoylamino)-2-methylbutanoic acid?
The InChIKey is OHGUQEHEULDZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-5-8-10-16(11-9-6-2)13(19)15-14(4,7-3)12(17)18/h5-11H2,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 2-(dibutylcarbamoylamino)-2-methylbutanoic acid?
2-(dibutylcarbamoylamino)-2-methylbutanoic acid has a molecular weight of 272.39 g/mol, XLogP of 2.85, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibutylcarbamoylamino)-2-methylbutanoic acid is sourced from PubChem (CID 79798187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).