2-methyl-4-[[1-(2-methylpropyl)cyclopentyl]methylcarbamoylamino]butanoic acid

C16H30N2O3 — CID 80541329

IUPAC2-methyl-4-[[1-(2-methylpropyl)cyclopentyl]methylcarbamoylamino]butanoic acid
SMILESCC(C)CC1(CNC(=O)NCCC(C)C(=O)O)CCCC1
InChIInChI=1S/C16H30N2O3/c1-12(2)10-16(7-4-5-8-16)11-18-15(21)17-9-6-13(3)14(19)20/h12-13H,4-11H2,1-3H3,(H,19,20)(H2,17,18,21)
InChIKeyOJDHJXBSZZIXBN-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.00
Rot. Bonds8

About 2-methyl-4-[[1-(2-methylpropyl)cyclopentyl]methylcarbamoylamino]butanoic acid

2-methyl-4-[[1-(2-methylpropyl)cyclopentyl]methylcarbamoylamino]butanoic acid (PubChem CID 80541329) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-methyl-4-[[1-(2-methylpropyl)cyclopentyl]methylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name2-methyl-4-[[1-(2-methylpropyl)cyclopentyl]methylcarbamoylamino]butanoic acid
PubChem CID80541329
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-methyl-4-[[1-(2-methylpropyl)cyclopentyl]methylcarbamoylamino]butanoic acid
SMILESCC(C)CC1(CNC(=O)NCCC(C)C(=O)O)CCCC1
InChIInChI=1S/C16H30N2O3/c1-12(2)10-16(7-4-5-8-16)11-18-15(21)17-9-6-13(3)14(19)20/h12-13H,4-11H2,1-3H3,(H,19,20)(H2,17,18,21)
InChIKeyOJDHJXBSZZIXBN-UHFFFAOYSA-N
XLogP3.00
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-methyl-4-[[1-(2-methylpropyl)cyclopentyl]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

1-[[1-(2-methylpropyl)cyclopentyl]methyl]-3-propylurea
CID 116656790
3-methoxy-2-[[1-(2-methylpropyl)cyclopentyl]methylcarbamoylamino]propanoic acid
CID 81085411
5-amino-2-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pentanamide
CID 104685343
2-[1-[(3-methylsulfanylbutylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 113494169
4-(2-cyclopentyloxyethylcarbamoylamino)-2-methylbutanoic acid
CID 80540968
methyl 2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-2-oxoacetate
CID 112617453
1-amino-N-[[1-(2-methylpropyl)cyclobutyl]methyl]cyclopropane-1-carboxamide
CID 119788836
2-methyl-4-(2H-tetrazol-5-ylmethylcarbamoylamino)butanoic acid
CID 80541695
2-methyl-4-[[3-(methylamino)-3-oxopropyl]carbamoylamino]butanoic acid
CID 80541843
1-[(1-ethylcyclobutyl)methyl]-3-(3-hydroxy-3-phenylpropyl)urea
CID 111969619
2-methyl-5-[(2-methyloxolan-2-yl)methylcarbamoylamino]pentanoic acid
CID 104686817
2-bromo-2-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]propanamide
CID 114328916

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[1-(2-methylpropyl)cyclopentyl]methylcarbamoylamino]butanoic acid?
The IUPAC name of 2-methyl-4-[[1-(2-methylpropyl)cyclopentyl]methylcarbamoylamino]butanoic acid (CID 80541329) is 2-methyl-4-[[1-(2-methylpropyl)cyclopentyl]methylcarbamoylamino]butanoic acid.
What is the SMILES notation for 2-methyl-4-[[1-(2-methylpropyl)cyclopentyl]methylcarbamoylamino]butanoic acid?
The canonical SMILES for 2-methyl-4-[[1-(2-methylpropyl)cyclopentyl]methylcarbamoylamino]butanoic acid is CC(C)CC1(CNC(=O)NCCC(C)C(=O)O)CCCC1.
What is the InChIKey of 2-methyl-4-[[1-(2-methylpropyl)cyclopentyl]methylcarbamoylamino]butanoic acid?
The InChIKey is OJDHJXBSZZIXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-12(2)10-16(7-4-5-8-16)11-18-15(21)17-9-6-13(3)14(19)20/h12-13H,4-11H2,1-3H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2-methyl-4-[[1-(2-methylpropyl)cyclopentyl]methylcarbamoylamino]butanoic acid?
2-methyl-4-[[1-(2-methylpropyl)cyclopentyl]methylcarbamoylamino]butanoic acid has a molecular weight of 298.43 g/mol, XLogP of 3.00, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[1-(2-methylpropyl)cyclopentyl]methylcarbamoylamino]butanoic acid is sourced from PubChem (CID 80541329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).