5-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-methylpentanoic acid

C14H26N2O3 — CID 112547772

IUPAC5-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-methylpentanoic acid
SMILESCC1CCCC(N)(C(=O)NCCCC(C)C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-10-5-3-7-14(15,9-10)13(19)16-8-4-6-11(2)12(17)18/h10-11H,3-9,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyRHGCKTDLPQROCG-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.51
Rot. Bonds6

About 5-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-methylpentanoic acid

5-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-methylpentanoic acid (PubChem CID 112547772) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 5-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name5-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-methylpentanoic acid
PubChem CID112547772
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name5-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-methylpentanoic acid
SMILESCC1CCCC(N)(C(=O)NCCCC(C)C(=O)O)C1
InChIInChI=1S/C14H26N2O3/c1-10-5-3-7-14(15,9-10)13(19)16-8-4-6-11(2)12(17)18/h10-11H,3-9,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyRHGCKTDLPQROCG-UHFFFAOYSA-N
XLogP1.51
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(1-aminocyclopentanecarbonyl)amino]-2-methylpentanoic acid
CID 112547802
4-[(1-amino-3-methylcyclohexanecarbonyl)amino]butanoic acid
CID 64555264
1-amino-3-methyl-N-[3-(2-methylpropoxy)propyl]cyclohexane-1-carboxamide
CID 64550257
1-amino-3-methyl-N-(3-methylsulfanylbutyl)cyclohexane-1-carboxamide
CID 115739018
1-amino-3-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]cyclohexane-1-carboxamide
CID 64552753
1-amino-N-(3-cyclopentylpropyl)-3-methylcyclohexane-1-carboxamide
CID 103809043
1-amino-N-(3-hydroxy-2-methylpropyl)-3-methylcyclohexane-1-carboxamide
CID 65035910
1-amino-N-ethyl-3-methylcyclohexane-1-carboxamide
CID 64549188
1-amino-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methylcyclohexane-1-carboxamide
CID 115738026
5-[(4-aminooxane-4-carbonyl)amino]-2-methylpentanoic acid
CID 112547775
5-[[1-(aminomethyl)cyclohexanecarbonyl]amino]-2-methylpentanoic acid
CID 104685703
1-[[(1-amino-3-methylcyclohexanecarbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312279

Frequently Asked Questions

What is the IUPAC name of 5-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-methylpentanoic acid?
The IUPAC name of 5-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-methylpentanoic acid (CID 112547772) is 5-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 5-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-methylpentanoic acid?
The canonical SMILES for 5-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-methylpentanoic acid is CC1CCCC(N)(C(=O)NCCCC(C)C(=O)O)C1.
What is the InChIKey of 5-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-methylpentanoic acid?
The InChIKey is RHGCKTDLPQROCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10-5-3-7-14(15,9-10)13(19)16-8-4-6-11(2)12(17)18/h10-11H,3-9,15H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 5-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-methylpentanoic acid?
5-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-methylpentanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-amino-3-methylcyclohexanecarbonyl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 112547772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).