3-[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]butanoic acid

C15H26N2O3 — CID 81046430

IUPAC3-[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(C(=O)C2(N)CCCC2)C1
InChIInChI=1S/C15H26N2O3/c1-11(9-13(18)19)12-5-4-8-17(10-12)14(20)15(16)6-2-3-7-15/h11-12H,2-10,16H2,1H3,(H,18,19)
InChIKeyKQSGDNSSWGZLTQ-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.61
Rot. Bonds4

About 3-[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]butanoic acid

3-[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]butanoic acid (PubChem CID 81046430) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name3-[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]butanoic acid
PubChem CID81046430
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(C(=O)C2(N)CCCC2)C1
InChIInChI=1S/C15H26N2O3/c1-11(9-13(18)19)12-5-4-8-17(10-12)14(20)15(16)6-2-3-7-15/h11-12H,2-10,16H2,1H3,(H,18,19)
InChIKeyKQSGDNSSWGZLTQ-UHFFFAOYSA-N
XLogP1.61
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]butanoic acid
CID 81046858
3-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperidin-3-yl]butanoic acid
CID 81176622
3-[1-[2-(methylamino)acetyl]piperidin-3-yl]butanoic acid
CID 81046132
3-[1-[3-(propan-2-ylamino)propanoyl]piperidin-3-yl]butanoic acid
CID 81046204
3-[1-(2,2-difluoroacetyl)piperidin-3-yl]butanoic acid
CID 103513401
3-[1-(cyclopentanecarbonyl)piperidin-3-yl]butanoic acid
CID 81046487
3-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]butanoic acid
CID 81047175
3-[1-(2-amino-3,3-dimethylbutanoyl)piperidin-3-yl]butanoic acid
CID 115867296
3-[1-[(2S)-2-aminopentanoyl]piperidin-3-yl]butanoic acid
CID 103870704
3-[1-(4-methoxybutanoyl)piperidin-3-yl]butanoic acid
CID 81046195
3-[1-[(E)-but-2-enoyl]piperidin-3-yl]butanoic acid
CID 81046628
3-[1-(2,2-dimethylpropylcarbamoyl)piperidin-3-yl]butanoic acid
CID 81046077

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]butanoic acid?
The IUPAC name of 3-[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]butanoic acid (CID 81046430) is 3-[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]butanoic acid.
What is the SMILES notation for 3-[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]butanoic acid?
The canonical SMILES for 3-[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]butanoic acid is CC(CC(=O)O)C1CCCN(C(=O)C2(N)CCCC2)C1.
What is the InChIKey of 3-[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]butanoic acid?
The InChIKey is KQSGDNSSWGZLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11(9-13(18)19)12-5-4-8-17(10-12)14(20)15(16)6-2-3-7-15/h11-12H,2-10,16H2,1H3,(H,18,19).
What are the key properties of 3-[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]butanoic acid?
3-[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]butanoic acid has a molecular weight of 282.38 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]butanoic acid is sourced from PubChem (CID 81046430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).