3-(dibutylcarbamoylamino)-2,2-dimethylpropanoic acid

C14H28N2O3 — CID 115428326

IUPAC3-(dibutylcarbamoylamino)-2,2-dimethylpropanoic acid
SMILESCCCCN(CCCC)C(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C14H28N2O3/c1-5-7-9-16(10-8-6-2)13(19)15-11-14(3,4)12(17)18/h5-11H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyMPFZASNPSBARAD-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.71
Rot. Bonds9

About 3-(dibutylcarbamoylamino)-2,2-dimethylpropanoic acid

3-(dibutylcarbamoylamino)-2,2-dimethylpropanoic acid (PubChem CID 115428326) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-(dibutylcarbamoylamino)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(dibutylcarbamoylamino)-2,2-dimethylpropanoic acid
PubChem CID115428326
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name3-(dibutylcarbamoylamino)-2,2-dimethylpropanoic acid
SMILESCCCCN(CCCC)C(=O)NCC(C)(C)C(=O)O
InChIInChI=1S/C14H28N2O3/c1-5-7-9-16(10-8-6-2)13(19)15-11-14(3,4)12(17)18/h5-11H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyMPFZASNPSBARAD-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(dibutylcarbamoylamino)-2,2-dimethylpropanoic 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

2,2-dimethyl-3-(pentanoylamino)propanoic acid
CID 81367765
3-(dibutylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65266173
2-(dibutylcarbamoylamino)-2-methylbutanoic acid
CID 79798187
3-[[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]amino]-2,2-dimethylpropanoic acid
CID 113308163
1,1-dibutyl-3-tert-butylurea
CID 11413547
3-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2,2-dimethylpropanoic acid
CID 115428627
2,2-dimethyl-3-(pentylcarbamoylamino)propanoic acid
CID 115428270
3-(hexylcarbamoylamino)-2,2-dimethylpropanoic acid
CID 115428854
2,2-dimethyl-3-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]propanoic acid
CID 115428852
3-[[cyclopropyl(ethyl)carbamoyl]amino]-2,2-dimethylpropanoic acid
CID 115428386
4-(dipropylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid
CID 66001198
CID 177477585
CID 177477585

Frequently Asked Questions

What is the IUPAC name of 3-(dibutylcarbamoylamino)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(dibutylcarbamoylamino)-2,2-dimethylpropanoic acid (CID 115428326) is 3-(dibutylcarbamoylamino)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(dibutylcarbamoylamino)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(dibutylcarbamoylamino)-2,2-dimethylpropanoic acid is CCCCN(CCCC)C(=O)NCC(C)(C)C(=O)O.
What is the InChIKey of 3-(dibutylcarbamoylamino)-2,2-dimethylpropanoic acid?
The InChIKey is MPFZASNPSBARAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-5-7-9-16(10-8-6-2)13(19)15-11-14(3,4)12(17)18/h5-11H2,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 3-(dibutylcarbamoylamino)-2,2-dimethylpropanoic acid?
3-(dibutylcarbamoylamino)-2,2-dimethylpropanoic acid has a molecular weight of 272.39 g/mol, XLogP of 2.71, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibutylcarbamoylamino)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 115428326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).