1-[3-(cyclopentanecarbonylamino)propanoyl]piperidine-3-carboxylic acid

C15H24N2O4 — CID 43355887

IUPAC1-[3-(cyclopentanecarbonylamino)propanoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)CCNC(=O)C2CCCC2)C1
InChIInChI=1S/C15H24N2O4/c18-13(17-9-3-6-12(10-17)15(20)21)7-8-16-14(19)11-4-1-2-5-11/h11-12H,1-10H2,(H,16,19)(H,20,21)
InChIKeyYPFHLMXFBYFHPS-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.01
Rot. Bonds5

About 1-[3-(cyclopentanecarbonylamino)propanoyl]piperidine-3-carboxylic acid

1-[3-(cyclopentanecarbonylamino)propanoyl]piperidine-3-carboxylic acid (PubChem CID 43355887) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-[3-(cyclopentanecarbonylamino)propanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(cyclopentanecarbonylamino)propanoyl]piperidine-3-carboxylic acid
PubChem CID43355887
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name1-[3-(cyclopentanecarbonylamino)propanoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)CCNC(=O)C2CCCC2)C1
InChIInChI=1S/C15H24N2O4/c18-13(17-9-3-6-12(10-17)15(20)21)7-8-16-14(19)11-4-1-2-5-11/h11-12H,1-10H2,(H,16,19)(H,20,21)
InChIKeyYPFHLMXFBYFHPS-UHFFFAOYSA-N
XLogP1.01
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopentanecarbonylamino)propanoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[3-(cyclopentanecarbonylamino)propanoyl]piperidine-3-carboxylic acid (CID 43355887) is 1-[3-(cyclopentanecarbonylamino)propanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(cyclopentanecarbonylamino)propanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(cyclopentanecarbonylamino)propanoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)CCNC(=O)C2CCCC2)C1.
What is the InChIKey of 1-[3-(cyclopentanecarbonylamino)propanoyl]piperidine-3-carboxylic acid?
The InChIKey is YPFHLMXFBYFHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c18-13(17-9-3-6-12(10-17)15(20)21)7-8-16-14(19)11-4-1-2-5-11/h11-12H,1-10H2,(H,16,19)(H,20,21).
What are the key properties of 1-[3-(cyclopentanecarbonylamino)propanoyl]piperidine-3-carboxylic acid?
1-[3-(cyclopentanecarbonylamino)propanoyl]piperidine-3-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopentanecarbonylamino)propanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 43355887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).