1-[(2-aminohexanoylamino)methyl]cyclopentane-1-carboxylic acid

C13H24N2O3 — CID 113309229

IUPAC1-[(2-aminohexanoylamino)methyl]cyclopentane-1-carboxylic acid
SMILESCCCCC(N)C(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C13H24N2O3/c1-2-3-6-10(14)11(16)15-9-13(12(17)18)7-4-5-8-13/h10H,2-9,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyYHGJYDXTOMAPEP-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.27
Rot. Bonds7

About 1-[(2-aminohexanoylamino)methyl]cyclopentane-1-carboxylic acid

1-[(2-aminohexanoylamino)methyl]cyclopentane-1-carboxylic acid (PubChem CID 113309229) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[(2-aminohexanoylamino)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-aminohexanoylamino)methyl]cyclopentane-1-carboxylic acid
PubChem CID113309229
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-[(2-aminohexanoylamino)methyl]cyclopentane-1-carboxylic acid
SMILESCCCCC(N)C(=O)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C13H24N2O3/c1-2-3-6-10(14)11(16)15-9-13(12(17)18)7-4-5-8-13/h10H,2-9,14H2,1H3,(H,15,16)(H,17,18)
InChIKeyYHGJYDXTOMAPEP-UHFFFAOYSA-N
XLogP1.27
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[[(2R)-2-aminopentanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 107570315
1-[[[(2R)-2-aminopentanoyl]amino]methyl]cycloheptane-1-carboxylic acid
CID 107570320
1-[[[(2R)-2-aminopentanoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 107570322
1-[(2-aminopentanoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115450692
1-[[(2-amino-4-carboxybutanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115436305
2-amino-N-[(1-methylcyclohexyl)methyl]hexanamide
CID 103832772
1-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 104903843
1-[(2-aminopentanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442596
1-[(hexan-2-ylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309355
(2S)-2-amino-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]hexanamide
CID 113357272
1-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436415
1-[[(2-amino-4-methylpentanoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450693

Frequently Asked Questions

What is the IUPAC name of 1-[(2-aminohexanoylamino)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(2-aminohexanoylamino)methyl]cyclopentane-1-carboxylic acid (CID 113309229) is 1-[(2-aminohexanoylamino)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-aminohexanoylamino)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(2-aminohexanoylamino)methyl]cyclopentane-1-carboxylic acid is CCCCC(N)C(=O)NCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[(2-aminohexanoylamino)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is YHGJYDXTOMAPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-2-3-6-10(14)11(16)15-9-13(12(17)18)7-4-5-8-13/h10H,2-9,14H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 1-[(2-aminohexanoylamino)methyl]cyclopentane-1-carboxylic acid?
1-[(2-aminohexanoylamino)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 1.27, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-aminohexanoylamino)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 113309229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).