1-[2-(cyclopentylamino)acetyl]piperidine-3-carboxylic acid

C13H22N2O3 — CID 61156810

IUPAC1-[2-(cyclopentylamino)acetyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)CNC2CCCC2)C1
InChIInChI=1S/C13H22N2O3/c16-12(8-14-11-5-1-2-6-11)15-7-3-4-10(9-15)13(17)18/h10-11,14H,1-9H2,(H,17,18)
InChIKeyVHDHMNOPBJBOFD-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.84
Rot. Bonds4

About 1-[2-(cyclopentylamino)acetyl]piperidine-3-carboxylic acid

1-[2-(cyclopentylamino)acetyl]piperidine-3-carboxylic acid (PubChem CID 61156810) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[2-(cyclopentylamino)acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(cyclopentylamino)acetyl]piperidine-3-carboxylic acid
PubChem CID61156810
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-[2-(cyclopentylamino)acetyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)CNC2CCCC2)C1
InChIInChI=1S/C13H22N2O3/c16-12(8-14-11-5-1-2-6-11)15-7-3-4-10(9-15)13(17)18/h10-11,14H,1-9H2,(H,17,18)
InChIKeyVHDHMNOPBJBOFD-UHFFFAOYSA-N
XLogP0.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S,5S)-5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]propanoic acid
CID 16098234
(3R,5S)-5-acetamidopiperidine-3-carboxylic acid
CID 44270778
(3S,4R)-4-acetamidopiperidine-3-carboxylic acid
CID 44270774
Cyclo-(L-Leu-N-ethyl-L-Glu)
CID 170989636
1-(Cyclopentylcarbamoyl)piperidine-3-carboxylic acid
CID 43135693
1-(2-Aminopropanoyl)piperidine-3-carboxylic acid hydrochloride
CID 132344115
1-(2-{[(Tert-butoxy)carbonyl]amino}propanoyl)piperidine-3-carboxylic acid
CID 137704378
1-[1-(Butylamino)-1-oxopropan-2-yl]piperidine-3-carboxylic acid
CID 43440657
2-[1-[(2S)-2-amino-3-methylbutanoyl]-3-fluoropiperidin-4-yl]acetic acid
CID 175266955
1-(2-Amino-2-oxoethyl)piperidine-3-carboxylic acid
CID 43385909
1-[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-3-carboxylic acid
CID 43440792
1-(2-Aminopropanoyl)piperidine-3-carboxylic acid
CID 61157721

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopentylamino)acetyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(cyclopentylamino)acetyl]piperidine-3-carboxylic acid (CID 61156810) is 1-[2-(cyclopentylamino)acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(cyclopentylamino)acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(cyclopentylamino)acetyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)CNC2CCCC2)C1.
What is the InChIKey of 1-[2-(cyclopentylamino)acetyl]piperidine-3-carboxylic acid?
The InChIKey is VHDHMNOPBJBOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c16-12(8-14-11-5-1-2-6-11)15-7-3-4-10(9-15)13(17)18/h10-11,14H,1-9H2,(H,17,18).
What are the key properties of 1-[2-(cyclopentylamino)acetyl]piperidine-3-carboxylic acid?
1-[2-(cyclopentylamino)acetyl]piperidine-3-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopentylamino)acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 61156810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).