2-(pentylamino)cyclopropane-1-carboxylic acid

C9H17NO2 — CID 117027619

IUPAC2-(pentylamino)cyclopropane-1-carboxylic acid
SMILESCCCCCNC1CC1C(=O)O
InChIInChI=1S/C9H17NO2/c1-2-3-4-5-10-8-6-7(8)9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyGVYAVVBURUBNGH-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.24
Rot. Bonds6

About 2-(pentylamino)cyclopropane-1-carboxylic acid

2-(pentylamino)cyclopropane-1-carboxylic acid (PubChem CID 117027619) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(pentylamino)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(pentylamino)cyclopropane-1-carboxylic acid
PubChem CID117027619
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-(pentylamino)cyclopropane-1-carboxylic acid
SMILESCCCCCNC1CC1C(=O)O
InChIInChI=1S/C9H17NO2/c1-2-3-4-5-10-8-6-7(8)9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyGVYAVVBURUBNGH-UHFFFAOYSA-N
XLogP1.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.24
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

2-(ethylamino)cyclopropane-1-carboxylic acid
CID 117027588
2-(propylamino)cyclobutane-1-carboxylic acid
CID 103235108
3-(hexylamino)cyclohexane-1-carboxylic acid
CID 63043531
4-(pentylamino)cyclohexane-1-carboxylic acid
CID 60810044
(1S,6R)-3,4-dimethyl-6-(pentylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 7001791
2-(3-methoxypropylamino)cyclobutane-1-carboxylic acid
CID 103237165
N-dodecyl-2,4-dimethylcyclohexan-1-amine
CID 63995317
2-(decylcarbamoyl)cyclohexane-1-carboxylic acid
CID 5139462
6-(pentylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 4055137
2-(prop-2-enylamino)cyclopropane-1-carboxylic acid
CID 117027592
(1S,6S)-6-(hexylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 40579321
N-dodecyl-3-methylcyclobutan-1-amine
CID 113467183

Frequently Asked Questions

What is the IUPAC name of 2-(pentylamino)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(pentylamino)cyclopropane-1-carboxylic acid (CID 117027619) is 2-(pentylamino)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(pentylamino)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(pentylamino)cyclopropane-1-carboxylic acid is CCCCCNC1CC1C(=O)O.
What is the InChIKey of 2-(pentylamino)cyclopropane-1-carboxylic acid?
The InChIKey is GVYAVVBURUBNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-3-4-5-10-8-6-7(8)9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12).
What are the key properties of 2-(pentylamino)cyclopropane-1-carboxylic acid?
2-(pentylamino)cyclopropane-1-carboxylic acid has a molecular weight of 171.24 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pentylamino)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117027619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).