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

C13H24N2O3 — CID 103869669

IUPAC2-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclohexane-1-carboxylic acid
SMILESCC(C)C[C@@H](N)C(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C13H24N2O3/c1-8(2)7-10(14)12(16)15-11-6-4-3-5-9(11)13(17)18/h8-11H,3-7,14H2,1-2H3,(H,15,16)(H,17,18)/t9?,10-,11?/m1/s1
InChIKeyGUHYYSYJPPPHSC-HSOILSAZSA-N
MW256.35 g/mol
LogP1.12
Rot. Bonds5

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

2-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 103869669) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID103869669
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclohexane-1-carboxylic acid
SMILESCC(C)C[C@@H](N)C(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C13H24N2O3/c1-8(2)7-10(14)12(16)15-11-6-4-3-5-9(11)13(17)18/h8-11H,3-7,14H2,1-2H3,(H,15,16)(H,17,18)/t9?,10-,11?/m1/s1
InChIKeyGUHYYSYJPPPHSC-HSOILSAZSA-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

Analyze 2-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

(2S)-2-amino-4-methyl-N-(2-methylcyclopentyl)pentanamide
CID 63281509
(2S)-2-amino-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]pentanamide
CID 61177900
2-(2-aminohexanoylamino)cyclohexane-1-carboxylic acid
CID 64817389
3-[(2-amino-4-methylpentanoyl)amino]cyclohexane-1-carboxylic acid
CID 55147492
cis-(1R,3S)-3-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclopentane-1-carboxylic acid
CID 114173473
4-[[(2R)-2-amino-4-methylpentanoyl]amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid
CID 102629379
2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclopentane-1-carboxylic acid
CID 64812508
(2R)-2-amino-N-[(3S,4R)-3-hydroxyoxepan-4-yl]-4-methylpentanamide
CID 59921664
2-[(5-amino-2-methylpentanoyl)amino]cycloheptane-1-carboxylic acid
CID 112547749
2-amino-4-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pentanamide
CID 43707055
2-[(2-amino-3,3-dimethylbutanoyl)amino]cyclopentane-1-carboxylic acid
CID 77053196
2-[[2-(carbamoylamino)-3-methylbutanoyl]amino]cyclohexane-1-carboxylic acid
CID 64815182

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclohexane-1-carboxylic acid (CID 103869669) is 2-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclohexane-1-carboxylic acid is CC(C)C[C@@H](N)C(=O)NC1CCCCC1C(=O)O.
What is the InChIKey of 2-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is GUHYYSYJPPPHSC-HSOILSAZSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-8(2)7-10(14)12(16)15-11-6-4-3-5-9(11)13(17)18/h8-11H,3-7,14H2,1-2H3,(H,15,16)(H,17,18)/t9?,10-,11?/m1/s1.
What are the key properties of 2-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclohexane-1-carboxylic acid?
2-[[(2R)-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 2-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 103869669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).