4-aminopiperidine-3-carboxylic acid

C6H12N2O2 — CID 42628701

IUPAC4-aminopiperidine-3-carboxylic acid
SMILESNC1CCNCC1C(=O)O
InChIInChI=1S/C6H12N2O2/c7-5-1-2-8-3-4(5)6(9)10/h4-5,8H,1-3,7H2,(H,9,10)
InChIKeyGIAOPBVWVXJZQO-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.99
Rot. Bonds1

About 4-aminopiperidine-3-carboxylic acid

4-aminopiperidine-3-carboxylic acid (PubChem CID 42628701) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 4-aminopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name4-aminopiperidine-3-carboxylic acid
PubChem CID42628701
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name4-aminopiperidine-3-carboxylic acid
SMILESNC1CCNCC1C(=O)O
InChIInChI=1S/C6H12N2O2/c7-5-1-2-8-3-4(5)6(9)10/h4-5,8H,1-3,7H2,(H,9,10)
InChIKeyGIAOPBVWVXJZQO-UHFFFAOYSA-N
XLogP-0.99
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-aminopiperidine-3-carboxylic acid?
The IUPAC name of 4-aminopiperidine-3-carboxylic acid (CID 42628701) is 4-aminopiperidine-3-carboxylic acid.
What is the SMILES notation for 4-aminopiperidine-3-carboxylic acid?
The canonical SMILES for 4-aminopiperidine-3-carboxylic acid is NC1CCNCC1C(=O)O.
What is the InChIKey of 4-aminopiperidine-3-carboxylic acid?
The InChIKey is GIAOPBVWVXJZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c7-5-1-2-8-3-4(5)6(9)10/h4-5,8H,1-3,7H2,(H,9,10).
What are the key properties of 4-aminopiperidine-3-carboxylic acid?
4-aminopiperidine-3-carboxylic acid has a molecular weight of 144.17 g/mol, XLogP of -0.99, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminopiperidine-3-carboxylic acid is sourced from PubChem (CID 42628701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).