3-[[(2-amino-1-methylcyclopentanecarbonyl)amino]methyl]-5-methylhexanoic acid

C15H28N2O3 — CID 82768358

IUPAC3-[[(2-amino-1-methylcyclopentanecarbonyl)amino]methyl]-5-methylhexanoic acid
SMILESCC(C)CC(CNC(=O)C1(C)CCCC1N)CC(=O)O
InChIInChI=1S/C15H28N2O3/c1-10(2)7-11(8-13(18)19)9-17-14(20)15(3)6-4-5-12(15)16/h10-12H,4-9,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyKBSCATBCZLWAJX-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.76
Rot. Bonds7

About 3-[[(2-amino-1-methylcyclopentanecarbonyl)amino]methyl]-5-methylhexanoic acid

3-[[(2-amino-1-methylcyclopentanecarbonyl)amino]methyl]-5-methylhexanoic acid (PubChem CID 82768358) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[[(2-amino-1-methylcyclopentanecarbonyl)amino]methyl]-5-methylhexanoic acid.

Molecular Properties

Compound Name3-[[(2-amino-1-methylcyclopentanecarbonyl)amino]methyl]-5-methylhexanoic acid
PubChem CID82768358
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-[[(2-amino-1-methylcyclopentanecarbonyl)amino]methyl]-5-methylhexanoic acid
SMILESCC(C)CC(CNC(=O)C1(C)CCCC1N)CC(=O)O
InChIInChI=1S/C15H28N2O3/c1-10(2)7-11(8-13(18)19)9-17-14(20)15(3)6-4-5-12(15)16/h10-12H,4-9,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyKBSCATBCZLWAJX-UHFFFAOYSA-N
XLogP1.76
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[(2-amino-1-methylcyclopentanecarbonyl)amino]methyl]-5-methylhexanoic 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-amino-1-methyl-N-(4-methylpentan-2-yl)cyclopentane-1-carboxamide
CID 82763758
3-[(2-amino-1-methylcyclopentanecarbonyl)amino]butanoic acid
CID 82768685
2-amino-N-(2,3-dihydroxypropyl)-1-methylcyclopentane-1-carboxamide
CID 82768544
1-(2-amino-1-methylcyclopentyl)-3-methylbutan-1-one
CID 116607171
2-amino-N-(2-hydroxy-4,4-dimethylpentyl)-1-methylcyclopentane-1-carboxamide
CID 107152792
(3S)-3-[[(2-aminocyclopentanecarbonyl)amino]methyl]-5-methylhexanoic acid
CID 65495163
2-amino-N-(cyanomethyl)-1-methylcyclopentane-1-carboxamide
CID 82767784
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-1-methylcyclopentane-1-carboxamide
CID 82768546
3-[(2-amino-1-methylcyclopentanecarbonyl)amino]-3-phenylpropanoic acid
CID 82759479
2-amino-1-methyl-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 82766043
2-amino-N-(1-cyclohexylethyl)-1-methylcyclopentane-1-carboxamide
CID 82768064
2-amino-N-(4-aminobutyl)-1-methylcyclopentane-1-carboxamide
CID 82767781

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-amino-1-methylcyclopentanecarbonyl)amino]methyl]-5-methylhexanoic acid?
The IUPAC name of 3-[[(2-amino-1-methylcyclopentanecarbonyl)amino]methyl]-5-methylhexanoic acid (CID 82768358) is 3-[[(2-amino-1-methylcyclopentanecarbonyl)amino]methyl]-5-methylhexanoic acid.
What is the SMILES notation for 3-[[(2-amino-1-methylcyclopentanecarbonyl)amino]methyl]-5-methylhexanoic acid?
The canonical SMILES for 3-[[(2-amino-1-methylcyclopentanecarbonyl)amino]methyl]-5-methylhexanoic acid is CC(C)CC(CNC(=O)C1(C)CCCC1N)CC(=O)O.
What is the InChIKey of 3-[[(2-amino-1-methylcyclopentanecarbonyl)amino]methyl]-5-methylhexanoic acid?
The InChIKey is KBSCATBCZLWAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-10(2)7-11(8-13(18)19)9-17-14(20)15(3)6-4-5-12(15)16/h10-12H,4-9,16H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 3-[[(2-amino-1-methylcyclopentanecarbonyl)amino]methyl]-5-methylhexanoic acid?
3-[[(2-amino-1-methylcyclopentanecarbonyl)amino]methyl]-5-methylhexanoic acid has a molecular weight of 284.40 g/mol, XLogP of 1.76, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-amino-1-methylcyclopentanecarbonyl)amino]methyl]-5-methylhexanoic acid is sourced from PubChem (CID 82768358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).