2-[2-(aminomethyl)pentanoylamino]cyclohexane-1-carboxylic acid

C13H24N2O3 — CID 65228027

IUPAC2-[2-(aminomethyl)pentanoylamino]cyclohexane-1-carboxylic acid
SMILESCCCC(CN)C(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C13H24N2O3/c1-2-5-9(8-14)12(16)15-11-7-4-3-6-10(11)13(17)18/h9-11H,2-8,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyHBKVGZZGHQGZFL-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.12
Rot. Bonds6

About 2-[2-(aminomethyl)pentanoylamino]cyclohexane-1-carboxylic acid

2-[2-(aminomethyl)pentanoylamino]cyclohexane-1-carboxylic acid (PubChem CID 65228027) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[2-(aminomethyl)pentanoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(aminomethyl)pentanoylamino]cyclohexane-1-carboxylic acid
PubChem CID65228027
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[2-(aminomethyl)pentanoylamino]cyclohexane-1-carboxylic acid
SMILESCCCC(CN)C(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C13H24N2O3/c1-2-5-9(8-14)12(16)15-11-7-4-3-6-10(11)13(17)18/h9-11H,2-8,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyHBKVGZZGHQGZFL-UHFFFAOYSA-N
XLogP1.12
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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

2-(aminomethyl)-N-(2-methylcyclopropyl)pentanamide
CID 62397144
2-(2-ethylhexanoylamino)cyclohexane-1-carboxylic acid
CID 64814795
2-(2-aminohexanoylamino)cyclohexane-1-carboxylic acid
CID 64817389
2-[(5-amino-2-methylpentanoyl)amino]cycloheptane-1-carboxylic acid
CID 112547749
2-(aminomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide
CID 107221949
2-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclohexane-1-carboxylic acid
CID 103869669
2-(aminomethyl)-N-(2,2-dimethylcyclopentyl)pentanamide
CID 79870952
2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]cyclopentane-1-carboxylic acid
CID 64812508
2-(aminomethyl)-N-[(1R)-1-cycloheptylethyl]pentanamide
CID 81393086
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-methylpentanamide
CID 76978469
2-[2-(propylsulfonylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 64814769
N-(2-carbamothioylcyclopentyl)-2-ethylbutanamide
CID 62956227

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)pentanoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[2-(aminomethyl)pentanoylamino]cyclohexane-1-carboxylic acid (CID 65228027) is 2-[2-(aminomethyl)pentanoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(aminomethyl)pentanoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[2-(aminomethyl)pentanoylamino]cyclohexane-1-carboxylic acid is CCCC(CN)C(=O)NC1CCCCC1C(=O)O.
What is the InChIKey of 2-[2-(aminomethyl)pentanoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is HBKVGZZGHQGZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-2-5-9(8-14)12(16)15-11-7-4-3-6-10(11)13(17)18/h9-11H,2-8,14H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[2-(aminomethyl)pentanoylamino]cyclohexane-1-carboxylic acid?
2-[2-(aminomethyl)pentanoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)pentanoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 65228027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).