3-[(2-amino-4-methylpentanoyl)amino]cyclohexane-1-carboxylic acid

C13H24N2O3 — CID 55147492

IUPAC3-[(2-amino-4-methylpentanoyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(C)CC(N)C(=O)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C13H24N2O3/c1-8(2)6-11(14)12(16)15-10-5-3-4-9(7-10)13(17)18/h8-11H,3-7,14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyHTNILOSPRNSHNR-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.12
Rot. Bonds5

About 3-[(2-amino-4-methylpentanoyl)amino]cyclohexane-1-carboxylic acid

3-[(2-amino-4-methylpentanoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 55147492) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[(2-amino-4-methylpentanoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-amino-4-methylpentanoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID55147492
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name3-[(2-amino-4-methylpentanoyl)amino]cyclohexane-1-carboxylic acid
SMILESCC(C)CC(N)C(=O)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C13H24N2O3/c1-8(2)6-11(14)12(16)15-10-5-3-4-9(7-10)13(17)18/h8-11H,3-7,14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyHTNILOSPRNSHNR-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclopentane-1-carboxylic acid
CID 114173473
2-amino-N-(3-ethylcyclohexyl)-4-methylpentanamide
CID 64750376
(2S)-2-amino-N-[3-(dimethylamino)cyclohexyl]-4-methylpentanamide;dihydrochloride
CID 119889118
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclohexane-1-carboxylic acid
CID 63044400
2-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclohexane-1-carboxylic acid
CID 103869669
(2S)-2-amino-4-methyl-N-(2-methylcyclopentyl)pentanamide
CID 63281509
cis-(1R,3S)-3-(2-aminobutanoylamino)cyclopentane-1-carboxylic acid
CID 106322701
cis-(1S,3R)-3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]cyclohexane-1-carboxylic acid
CID 7073973
3-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]cyclohexane-1-carboxylic acid
CID 107472105
(2S)-2-amino-4-methyl-N-(3-methylsulfanylcyclopentyl)pentanamide
CID 103812526
2-amino-4-methyl-N-(oxan-4-yl)pentanamide
CID 43610149
cis-(1R,3S)-3-[[(2R)-2-aminopentanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322988

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-4-methylpentanoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(2-amino-4-methylpentanoyl)amino]cyclohexane-1-carboxylic acid (CID 55147492) is 3-[(2-amino-4-methylpentanoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(2-amino-4-methylpentanoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(2-amino-4-methylpentanoyl)amino]cyclohexane-1-carboxylic acid is CC(C)CC(N)C(=O)NC1CCCC(C(=O)O)C1.
What is the InChIKey of 3-[(2-amino-4-methylpentanoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is HTNILOSPRNSHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-8(2)6-11(14)12(16)15-10-5-3-4-9(7-10)13(17)18/h8-11H,3-7,14H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 3-[(2-amino-4-methylpentanoyl)amino]cyclohexane-1-carboxylic acid?
3-[(2-amino-4-methylpentanoyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-4-methylpentanoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 55147492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).