4-[(2S)-2-methylpiperidin-1-yl]butanoic acid

C10H19NO2 — CID 42304072

IUPAC4-[(2S)-2-methylpiperidin-1-yl]butanoic acid
SMILESC[C@H]1CCCCN1CCCC(=O)O
InChIInChI=1S/C10H19NO2/c1-9-5-2-3-7-11(9)8-4-6-10(12)13/h9H,2-8H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyVVBPYQUHXLPXAB-VIFPVBQESA-N
MW185.27 g/mol
LogP1.73
Rot. Bonds4

About 4-[(2S)-2-methylpiperidin-1-yl]butanoic acid

4-[(2S)-2-methylpiperidin-1-yl]butanoic acid (PubChem CID 42304072) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-[(2S)-2-methylpiperidin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[(2S)-2-methylpiperidin-1-yl]butanoic acid
PubChem CID42304072
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4-[(2S)-2-methylpiperidin-1-yl]butanoic acid
SMILESC[C@H]1CCCCN1CCCC(=O)O
InChIInChI=1S/C10H19NO2/c1-9-5-2-3-7-11(9)8-4-6-10(12)13/h9H,2-8H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyVVBPYQUHXLPXAB-VIFPVBQESA-N
XLogP1.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Butyric acid, 4-piperidino-
CID 20794
4-(Piperidin-1-yl)butanoic acid hydrochloride
CID 13172081
4-(2-Methylpiperidin-1-yl)pentanoic acid--hydrogen chloride (1/1)
CID 113719
1-Isopropylpiperidine-4-Carboxylic Acid
CID 6484187
1-(Propan-2-yl)piperidine-4-carboxylic acid hydrochloride
CID 45075031
1-Methyl-2-piperidinepropanoic acid
CID 45791119
4-Carboxy-1,1-Dimethylpiperidin-1-Ium
CID 71385008
3-(2-Methylpiperidin-1-yl)propanoic acid
CID 3157941
1-Propylpiperidine-4-carboxylic acid
CID 16228244
1,2-Dimethylpiperidine-4-carboxylic acid hydrochloride
CID 155895625
4-(Methyl(propan-2-yl)amino)butanoic acid hydrochloride
CID 165675460
4-(2,6-Dimethylpiperidin-1-yl)-4-oxo-butyric acid
CID 3102906

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-methylpiperidin-1-yl]butanoic acid?
The IUPAC name of 4-[(2S)-2-methylpiperidin-1-yl]butanoic acid (CID 42304072) is 4-[(2S)-2-methylpiperidin-1-yl]butanoic acid.
What is the SMILES notation for 4-[(2S)-2-methylpiperidin-1-yl]butanoic acid?
The canonical SMILES for 4-[(2S)-2-methylpiperidin-1-yl]butanoic acid is C[C@H]1CCCCN1CCCC(=O)O.
What is the InChIKey of 4-[(2S)-2-methylpiperidin-1-yl]butanoic acid?
The InChIKey is VVBPYQUHXLPXAB-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19NO2/c1-9-5-2-3-7-11(9)8-4-6-10(12)13/h9H,2-8H2,1H3,(H,12,13)/t9-/m0/s1.
What are the key properties of 4-[(2S)-2-methylpiperidin-1-yl]butanoic acid?
4-[(2S)-2-methylpiperidin-1-yl]butanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-methylpiperidin-1-yl]butanoic acid is sourced from PubChem (CID 42304072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).