1-[2-[1-(carboxymethyl)cyclopentyl]acetyl]piperidine-4-carboxylic acid

C15H23NO5 — CID 943458

IUPAC1-[2-[1-(carboxymethyl)cyclopentyl]acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)CC1(CC(=O)N2CCC(C(=O)O)CC2)CCCC1
InChIInChI=1S/C15H23NO5/c17-12(16-7-3-11(4-8-16)14(20)21)9-15(10-13(18)19)5-1-2-6-15/h11H,1-10H2,(H,18,19)(H,20,21)
InChIKeyNUWXCBXABKVPAB-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.73
Rot. Bonds5

About 1-[2-[1-(carboxymethyl)cyclopentyl]acetyl]piperidine-4-carboxylic acid

1-[2-[1-(carboxymethyl)cyclopentyl]acetyl]piperidine-4-carboxylic acid (PubChem CID 943458) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is 1-[2-[1-(carboxymethyl)cyclopentyl]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[1-(carboxymethyl)cyclopentyl]acetyl]piperidine-4-carboxylic acid
PubChem CID943458
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Name1-[2-[1-(carboxymethyl)cyclopentyl]acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)CC1(CC(=O)N2CCC(C(=O)O)CC2)CCCC1
InChIInChI=1S/C15H23NO5/c17-12(16-7-3-11(4-8-16)14(20)21)9-15(10-13(18)19)5-1-2-6-15/h11H,1-10H2,(H,18,19)(H,20,21)
InChIKeyNUWXCBXABKVPAB-UHFFFAOYSA-N
XLogP1.73
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(carboxymethyl)cyclopentyl]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[1-(carboxymethyl)cyclopentyl]acetyl]piperidine-4-carboxylic acid (CID 943458) is 1-[2-[1-(carboxymethyl)cyclopentyl]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[1-(carboxymethyl)cyclopentyl]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[1-(carboxymethyl)cyclopentyl]acetyl]piperidine-4-carboxylic acid is O=C(O)CC1(CC(=O)N2CCC(C(=O)O)CC2)CCCC1.
What is the InChIKey of 1-[2-[1-(carboxymethyl)cyclopentyl]acetyl]piperidine-4-carboxylic acid?
The InChIKey is NUWXCBXABKVPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5/c17-12(16-7-3-11(4-8-16)14(20)21)9-15(10-13(18)19)5-1-2-6-15/h11H,1-10H2,(H,18,19)(H,20,21).
What are the key properties of 1-[2-[1-(carboxymethyl)cyclopentyl]acetyl]piperidine-4-carboxylic acid?
1-[2-[1-(carboxymethyl)cyclopentyl]acetyl]piperidine-4-carboxylic acid has a molecular weight of 297.35 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(carboxymethyl)cyclopentyl]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 943458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).