6-[(2-methylcyclopentanecarbonyl)amino]hexanoic acid

C13H23NO3 — CID 107175009

IUPAC6-[(2-methylcyclopentanecarbonyl)amino]hexanoic acid
SMILESCC1CCCC1C(=O)NCCCCCC(=O)O
InChIInChI=1S/C13H23NO3/c1-10-6-5-7-11(10)13(17)14-9-4-2-3-8-12(15)16/h10-11H,2-9H2,1H3,(H,14,17)(H,15,16)
InChIKeyISUUIADCJYLLRX-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.18
Rot. Bonds7

About 6-[(2-methylcyclopentanecarbonyl)amino]hexanoic acid

6-[(2-methylcyclopentanecarbonyl)amino]hexanoic acid (PubChem CID 107175009) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 6-[(2-methylcyclopentanecarbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(2-methylcyclopentanecarbonyl)amino]hexanoic acid
PubChem CID107175009
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name6-[(2-methylcyclopentanecarbonyl)amino]hexanoic acid
SMILESCC1CCCC1C(=O)NCCCCCC(=O)O
InChIInChI=1S/C13H23NO3/c1-10-6-5-7-11(10)13(17)14-9-4-2-3-8-12(15)16/h10-11H,2-9H2,1H3,(H,14,17)(H,15,16)
InChIKeyISUUIADCJYLLRX-UHFFFAOYSA-N
XLogP2.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(cyclobutanecarbonylamino)hexanoic acid
CID 16786054
4-[(2-methylcyclopropanecarbonyl)amino]butanoic acid
CID 16772815
2-[(2-methylcyclopentanecarbonyl)amino]acetic acid
CID 107175041
6-[[(1R,3R)-3-methylcyclohexanecarbonyl]amino]hexanoic acid
CID 99849397
6-(bicyclo[3.1.0]hexane-6-carbonylamino)hexanoic acid
CID 81455114
5-[(3-methylpiperidine-2-carbonyl)amino]pentanoic acid
CID 107068216
7-(bicyclo[2.2.1]heptane-2-carbonylamino)heptanoic acid
CID 43209972
7-(cyclooctanecarbonylamino)heptanoic acid
CID 65019467
cis-(1S,2R)-2-(6-hydroxyhexylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114093307
5-[(2-methylcyclopentyl)amino]pentanoic acid
CID 103251309
5-[[(1S,2R)-2-cyclopropylcyclopropanecarbonyl]amino]pentanoic acid
CID 99851184
2-(decylcarbamoyl)cyclohexane-1-carboxylic acid
CID 5139462

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylcyclopentanecarbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(2-methylcyclopentanecarbonyl)amino]hexanoic acid (CID 107175009) is 6-[(2-methylcyclopentanecarbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(2-methylcyclopentanecarbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(2-methylcyclopentanecarbonyl)amino]hexanoic acid is CC1CCCC1C(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-[(2-methylcyclopentanecarbonyl)amino]hexanoic acid?
The InChIKey is ISUUIADCJYLLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-10-6-5-7-11(10)13(17)14-9-4-2-3-8-12(15)16/h10-11H,2-9H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 6-[(2-methylcyclopentanecarbonyl)amino]hexanoic acid?
6-[(2-methylcyclopentanecarbonyl)amino]hexanoic acid has a molecular weight of 241.33 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylcyclopentanecarbonyl)amino]hexanoic acid is sourced from PubChem (CID 107175009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).