3-piperidin-2-ylpropanoic acid

C8H15NO2 — CID 14231208

IUPAC3-piperidin-2-ylpropanoic acid
SMILESO=C(O)CCC1CCCCN1
InChIInChI=1S/C8H15NO2/c10-8(11)5-4-7-3-1-2-6-9-7/h7,9H,1-6H2,(H,10,11)
InChIKeyAYRHHRXKZJGDSA-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.99
Rot. Bonds3

About 3-piperidin-2-ylpropanoic acid

3-piperidin-2-ylpropanoic acid (PubChem CID 14231208) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 3-piperidin-2-ylpropanoic acid.

Molecular Properties

Compound Name3-piperidin-2-ylpropanoic acid
PubChem CID14231208
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name3-piperidin-2-ylpropanoic acid
SMILESO=C(O)CCC1CCCCN1
InChIInChI=1S/C8H15NO2/c10-8(11)5-4-7-3-1-2-6-9-7/h7,9H,1-6H2,(H,10,11)
InChIKeyAYRHHRXKZJGDSA-UHFFFAOYSA-N
XLogP0.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Piperidin-2-yl)acetic acid
CID 3164325
2,6-Piperidinedicarboxylic acid
CID 557515
3-(6-Oxopiperidin-2-yl)propanoic acid
CID 44364524
NoName_3265
CID 3815667
(2R,6S)-piperidine-2,6-dicarboxylic acid
CID 10942932
2-(Piperidin-2-yl)acetic acid hydrochloride
CID 12514712
3-(Piperidin-2-yl)propanoic acid hydrochloride
CID 42614381
(S)-2-(Piperidin-2-yl)acetic acid
CID 854351
3-[(2R)-Pyrrolidin-2-yl]propanoic acid
CID 11528359
3-Pyrrolidin-2-yl-propionic acid
CID 550965
4-(Piperidin-2-yl)butanoic acid--hydrogen chloride (1/1)
CID 12416327
1-Methyl-2-piperidinepropanoic acid
CID 45791119

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-2-ylpropanoic acid?
The IUPAC name of 3-piperidin-2-ylpropanoic acid (CID 14231208) is 3-piperidin-2-ylpropanoic acid.
What is the SMILES notation for 3-piperidin-2-ylpropanoic acid?
The canonical SMILES for 3-piperidin-2-ylpropanoic acid is O=C(O)CCC1CCCCN1.
What is the InChIKey of 3-piperidin-2-ylpropanoic acid?
The InChIKey is AYRHHRXKZJGDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c10-8(11)5-4-7-3-1-2-6-9-7/h7,9H,1-6H2,(H,10,11).
What are the key properties of 3-piperidin-2-ylpropanoic acid?
3-piperidin-2-ylpropanoic acid has a molecular weight of 157.21 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-2-ylpropanoic acid is sourced from PubChem (CID 14231208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).