1-[(2-amino-2-methylpentanoyl)amino]cyclohexane-1-carboxylic acid

C13H24N2O3 — CID 61158529

IUPAC1-[(2-amino-2-methylpentanoyl)amino]cyclohexane-1-carboxylic acid
SMILESCCCC(C)(N)C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C13H24N2O3/c1-3-7-12(2,14)10(16)15-13(11(17)18)8-5-4-6-9-13/h3-9,14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeySETRHCQYURVZMK-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.41
Rot. Bonds5

About 1-[(2-amino-2-methylpentanoyl)amino]cyclohexane-1-carboxylic acid

1-[(2-amino-2-methylpentanoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 61158529) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[(2-amino-2-methylpentanoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-amino-2-methylpentanoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID61158529
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-[(2-amino-2-methylpentanoyl)amino]cyclohexane-1-carboxylic acid
SMILESCCCC(C)(N)C(=O)NC1(C(=O)O)CCCCC1
InChIInChI=1S/C13H24N2O3/c1-3-7-12(2,14)10(16)15-13(11(17)18)8-5-4-6-9-13/h3-9,14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeySETRHCQYURVZMK-UHFFFAOYSA-N
XLogP1.41
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(hydroxymethyl)cyclohexyl]-2-methylpentanamide
CID 55086703
1-[(2-amino-2-methylpropanoyl)amino]cyclobutane-1-carboxylic acid
CID 81161173
1-[(3-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 64676761
1-[[2-methyl-2-(methylamino)propanoyl]amino]cycloheptane-1-carboxylic acid
CID 62846183
1-[[(2-amino-2-methylpentanoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 113311179
1-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 80547816
1-(ethoxycarbonylamino)cyclohexane-1-carboxylic acid
CID 24699851
1-[[methyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61196038
2-amino-N-[[1-(2-hydroxyethyl)cyclopentyl]methyl]-2-methylpentanamide
CID 119817843
1-[(6-amino-4,4-dimethylhexanoyl)amino]cyclohexane-1-carboxylic acid
CID 65292201
3-[(2-amino-2-methylbutanoyl)amino]oxolane-3-carboxylic acid
CID 79812034
1-(hexanoylamino)cycloheptane-1-carboxylic acid
CID 43341577

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-2-methylpentanoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2-amino-2-methylpentanoyl)amino]cyclohexane-1-carboxylic acid (CID 61158529) is 1-[(2-amino-2-methylpentanoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-amino-2-methylpentanoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2-amino-2-methylpentanoyl)amino]cyclohexane-1-carboxylic acid is CCCC(C)(N)C(=O)NC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[(2-amino-2-methylpentanoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is SETRHCQYURVZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-7-12(2,14)10(16)15-13(11(17)18)8-5-4-6-9-13/h3-9,14H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 1-[(2-amino-2-methylpentanoyl)amino]cyclohexane-1-carboxylic acid?
1-[(2-amino-2-methylpentanoyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-2-methylpentanoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61158529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).