2-ethyl-2-[[methyl(pentan-3-yl)carbamoyl]amino]butanoic acid

C13H26N2O3 — CID 79804394

IUPAC2-ethyl-2-[[methyl(pentan-3-yl)carbamoyl]amino]butanoic acid
SMILESCCC(CC)N(C)C(=O)NC(CC)(CC)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-6-10(7-2)15(5)12(18)14-13(8-3,9-4)11(16)17/h10H,6-9H2,1-5H3,(H,14,18)(H,16,17)
InChIKeyCBPOVIRPPCCVFJ-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.46
Rot. Bonds7

About 2-ethyl-2-[[methyl(pentan-3-yl)carbamoyl]amino]butanoic acid

2-ethyl-2-[[methyl(pentan-3-yl)carbamoyl]amino]butanoic acid (PubChem CID 79804394) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-ethyl-2-[[methyl(pentan-3-yl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[methyl(pentan-3-yl)carbamoyl]amino]butanoic acid
PubChem CID79804394
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-ethyl-2-[[methyl(pentan-3-yl)carbamoyl]amino]butanoic acid
SMILESCCC(CC)N(C)C(=O)NC(CC)(CC)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-6-10(7-2)15(5)12(18)14-13(8-3,9-4)11(16)17/h10H,6-9H2,1-5H3,(H,14,18)(H,16,17)
InChIKeyCBPOVIRPPCCVFJ-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-2-[[methyl(pentan-3-yl)carbamoyl]amino]butanoic 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-ethyl-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]butanoic acid
CID 79803751
2-ethyl-2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]butanoic acid
CID 79803567
2-ethyl-2-(pentan-3-ylamino)butanoic acid
CID 78969356
3-amino-1-methyl-1-pentan-3-ylurea
CID 43571547
2-ethyl-2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]butanoic acid
CID 79815181
2-ethyl-2-[[methyl(thiophen-3-ylmethyl)carbamoyl]amino]butanoic acid
CID 79804142
2-[[cycloheptyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid
CID 79803979
2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79801986
2-ethyl-2-[[3-methoxypropyl(methyl)carbamoyl]amino]butanoic acid
CID 79803516
2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid
CID 79803996
2-ethyl-2-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]butanoic acid
CID 79803922
2-[bis(cyclopropylmethyl)carbamoylamino]-2-ethylbutanoic acid
CID 79804081

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[methyl(pentan-3-yl)carbamoyl]amino]butanoic acid?
The IUPAC name of 2-ethyl-2-[[methyl(pentan-3-yl)carbamoyl]amino]butanoic acid (CID 79804394) is 2-ethyl-2-[[methyl(pentan-3-yl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[methyl(pentan-3-yl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[methyl(pentan-3-yl)carbamoyl]amino]butanoic acid is CCC(CC)N(C)C(=O)NC(CC)(CC)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[methyl(pentan-3-yl)carbamoyl]amino]butanoic acid?
The InChIKey is CBPOVIRPPCCVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-6-10(7-2)15(5)12(18)14-13(8-3,9-4)11(16)17/h10H,6-9H2,1-5H3,(H,14,18)(H,16,17).
What are the key properties of 2-ethyl-2-[[methyl(pentan-3-yl)carbamoyl]amino]butanoic acid?
2-ethyl-2-[[methyl(pentan-3-yl)carbamoyl]amino]butanoic acid has a molecular weight of 258.36 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[methyl(pentan-3-yl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 79804394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).