2-methyl-3-[(2-methylcyclopentyl)methylcarbamoylamino]butanoic acid

C13H24N2O3 — CID 107419812

IUPAC2-methyl-3-[(2-methylcyclopentyl)methylcarbamoylamino]butanoic acid
SMILESCC1CCCC1CNC(=O)NC(C)C(C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-8-5-4-6-11(8)7-14-13(18)15-10(3)9(2)12(16)17/h8-11H,4-7H2,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyIJIMQVANQKHNCY-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.83
Rot. Bonds5

About 2-methyl-3-[(2-methylcyclopentyl)methylcarbamoylamino]butanoic acid

2-methyl-3-[(2-methylcyclopentyl)methylcarbamoylamino]butanoic acid (PubChem CID 107419812) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-methyl-3-[(2-methylcyclopentyl)methylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(2-methylcyclopentyl)methylcarbamoylamino]butanoic acid
PubChem CID107419812
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-methyl-3-[(2-methylcyclopentyl)methylcarbamoylamino]butanoic acid
SMILESCC1CCCC1CNC(=O)NC(C)C(C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-8-5-4-6-11(8)7-14-13(18)15-10(3)9(2)12(16)17/h8-11H,4-7H2,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyIJIMQVANQKHNCY-UHFFFAOYSA-N
XLogP1.83
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-methyl-3-[(2-methylcyclopentyl)methylcarbamoylamino]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

(2S)-3-methyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]pentanoic acid
CID 107419825
(2S)-2-amino-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107418588
2-cyclohexyl-2-[(2-methylcyclopentyl)methylcarbamoylamino]acetic acid
CID 107419876
3-hydroxy-2-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid
CID 55011890
2-methyl-3-[(3-methylcyclopentyl)methylcarbamoylamino]butanoic acid
CID 107414476
3-methyl-5-[(2-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid
CID 107419034
3-[(2-methylcyclopentyl)methylcarbamoylamino]hexanoic acid
CID 107419896
(2R)-5-methoxy-2-[(2-methylcyclopentyl)methylcarbamoylamino]-5-oxopentanoic acid
CID 107829563
3-cyclopropyl-3-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid
CID 82002968
2-[methyl-[(2-methylcyclopentyl)methylcarbamoyl]amino]propanoic acid
CID 107419800
4,4-dimethyl-2-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]pentanoic acid
CID 107474794
(2-methylcyclopentyl)methylurea
CID 107417745

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-methylcyclopentyl)methylcarbamoylamino]butanoic acid?
The IUPAC name of 2-methyl-3-[(2-methylcyclopentyl)methylcarbamoylamino]butanoic acid (CID 107419812) is 2-methyl-3-[(2-methylcyclopentyl)methylcarbamoylamino]butanoic acid.
What is the SMILES notation for 2-methyl-3-[(2-methylcyclopentyl)methylcarbamoylamino]butanoic acid?
The canonical SMILES for 2-methyl-3-[(2-methylcyclopentyl)methylcarbamoylamino]butanoic acid is CC1CCCC1CNC(=O)NC(C)C(C)C(=O)O.
What is the InChIKey of 2-methyl-3-[(2-methylcyclopentyl)methylcarbamoylamino]butanoic acid?
The InChIKey is IJIMQVANQKHNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-8-5-4-6-11(8)7-14-13(18)15-10(3)9(2)12(16)17/h8-11H,4-7H2,1-3H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-methyl-3-[(2-methylcyclopentyl)methylcarbamoylamino]butanoic acid?
2-methyl-3-[(2-methylcyclopentyl)methylcarbamoylamino]butanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-methylcyclopentyl)methylcarbamoylamino]butanoic acid is sourced from PubChem (CID 107419812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).