2-(dipropylamino)cyclopentane-1-carboxylic acid

C12H23NO2 — CID 63067720

IUPAC2-(dipropylamino)cyclopentane-1-carboxylic acid
SMILESCCCN(CCC)C1CCCC1C(=O)O
InChIInChI=1S/C12H23NO2/c1-3-8-13(9-4-2)11-7-5-6-10(11)12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyKFFGGYYSGNOVEJ-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.36
Rot. Bonds6

About 2-(dipropylamino)cyclopentane-1-carboxylic acid

2-(dipropylamino)cyclopentane-1-carboxylic acid (PubChem CID 63067720) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-(dipropylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(dipropylamino)cyclopentane-1-carboxylic acid
PubChem CID63067720
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-(dipropylamino)cyclopentane-1-carboxylic acid
SMILESCCCN(CCC)C1CCCC1C(=O)O
InChIInChI=1S/C12H23NO2/c1-3-8-13(9-4-2)11-7-5-6-10(11)12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyKFFGGYYSGNOVEJ-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(dimethylamino)ethyl-propylamino]cyclopentane-1-carboxylic acid
CID 55147863
2-[propan-2-yl(propyl)amino]cyclopentane-1-carboxylic acid
CID 63068946
2-[bis(3-methylbutyl)amino]cyclohexane-1-carboxylic acid
CID 107871527
2-[propan-2-yl(propyl)amino]cycloheptane-1-carboxylic acid
CID 63068949
2-[bis(3-methylbutyl)amino]cycloheptane-1-carboxylic acid
CID 107871535
2-[2-hydroxyethyl(methyl)amino]cyclopentane-1-carboxylic acid
CID 83817695
2-(dibutylamino)-4-methylcyclohexane-1-carboxylic acid
CID 63067550
4-ethyl-2-[ethyl(propyl)amino]cyclohexane-1-carboxylic acid
CID 63066878
4-[2-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid
CID 114191556
4-methyl-2-[propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
CID 63068320
2-[cyclopropyl(ethyl)amino]cycloheptane-1-carboxylic acid
CID 63068767
4-[but-3-ynyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253813

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(dipropylamino)cyclopentane-1-carboxylic acid (CID 63067720) is 2-(dipropylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(dipropylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(dipropylamino)cyclopentane-1-carboxylic acid is CCCN(CCC)C1CCCC1C(=O)O.
What is the InChIKey of 2-(dipropylamino)cyclopentane-1-carboxylic acid?
The InChIKey is KFFGGYYSGNOVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-8-13(9-4-2)11-7-5-6-10(11)12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 2-(dipropylamino)cyclopentane-1-carboxylic acid?
2-(dipropylamino)cyclopentane-1-carboxylic acid has a molecular weight of 213.32 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 63067720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).