1-(cyclopropylamino)-3-piperidin-1-ylcyclopentane-1-carboxylic acid

C14H24N2O2 — CID 79649865

IUPAC1-(cyclopropylamino)-3-piperidin-1-ylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1(NC2CC2)CCC(N2CCCCC2)C1
InChIInChI=1S/C14H24N2O2/c17-13(18)14(15-11-4-5-11)7-6-12(10-14)16-8-2-1-3-9-16/h11-12,15H,1-10H2,(H,17,18)
InChIKeyKGQXRPZUPZPUQA-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.60
Rot. Bonds4

About 1-(cyclopropylamino)-3-piperidin-1-ylcyclopentane-1-carboxylic acid

1-(cyclopropylamino)-3-piperidin-1-ylcyclopentane-1-carboxylic acid (PubChem CID 79649865) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-piperidin-1-ylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-piperidin-1-ylcyclopentane-1-carboxylic acid
PubChem CID79649865
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-(cyclopropylamino)-3-piperidin-1-ylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1(NC2CC2)CCC(N2CCCCC2)C1
InChIInChI=1S/C14H24N2O2/c17-13(18)14(15-11-4-5-11)7-6-12(10-14)16-8-2-1-3-9-16/h11-12,15H,1-10H2,(H,17,18)
InChIKeyKGQXRPZUPZPUQA-UHFFFAOYSA-N
XLogP1.60
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylamino)-3-(3-methylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 79649936
1-(cyclopropylamino)-3-(2-methyl-1,4-oxazepan-4-yl)cyclopentane-1-carboxylic acid
CID 79650770
1-(cyclopropylamino)-3-piperidin-1-ylcyclohexane-1-carboxamide
CID 79636357
1-(cyclopropylamino)-3-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 79649455
1-(cyclopropylamino)-3-(3,3-dimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79633712
1-(cyclopropylamino)cyclododecane-1-carboxylic acid
CID 43754451
1-(cyclopropylamino)-3-(2,4-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 79651828
3-(4-cyclopropylpiperazin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79651754
3-cyclohexylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylic acid
CID 79653391
1-(cyclopropylamino)-3-(3-methylmorpholin-4-yl)cyclopentane-1-carboxylic acid
CID 79655261
1-(cyclopropylamino)-3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)cyclopentane-1-carboxylic acid
CID 79645412
3-(4-cyclopropylpiperazin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79647686

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-piperidin-1-ylcyclopentane-1-carboxylic acid?
The IUPAC name of 1-(cyclopropylamino)-3-piperidin-1-ylcyclopentane-1-carboxylic acid (CID 79649865) is 1-(cyclopropylamino)-3-piperidin-1-ylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylamino)-3-piperidin-1-ylcyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(cyclopropylamino)-3-piperidin-1-ylcyclopentane-1-carboxylic acid is O=C(O)C1(NC2CC2)CCC(N2CCCCC2)C1.
What is the InChIKey of 1-(cyclopropylamino)-3-piperidin-1-ylcyclopentane-1-carboxylic acid?
The InChIKey is KGQXRPZUPZPUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c17-13(18)14(15-11-4-5-11)7-6-12(10-14)16-8-2-1-3-9-16/h11-12,15H,1-10H2,(H,17,18).
What are the key properties of 1-(cyclopropylamino)-3-piperidin-1-ylcyclopentane-1-carboxylic acid?
1-(cyclopropylamino)-3-piperidin-1-ylcyclopentane-1-carboxylic acid has a molecular weight of 252.36 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-piperidin-1-ylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 79649865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).