2-methyl-3-piperidin-1-ylpropanoic acid

C9H17NO2 — CID 4739598

IUPAC2-methyl-3-piperidin-1-ylpropanoic acid
SMILESCC(CN1CCCCC1)C(=O)O
InChIInChI=1S/C9H17NO2/c1-8(9(11)12)7-10-5-3-2-4-6-10/h8H,2-7H2,1H3,(H,11,12)
InChIKeyFNXJEHJSDJHSFC-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.19
Rot. Bonds3

About 2-methyl-3-piperidin-1-ylpropanoic acid

2-methyl-3-piperidin-1-ylpropanoic acid (PubChem CID 4739598) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-methyl-3-piperidin-1-ylpropanoic acid.

Molecular Properties

Compound Name2-methyl-3-piperidin-1-ylpropanoic acid
PubChem CID4739598
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-methyl-3-piperidin-1-ylpropanoic acid
SMILESCC(CN1CCCCC1)C(=O)O
InChIInChI=1S/C9H17NO2/c1-8(9(11)12)7-10-5-3-2-4-6-10/h8H,2-7H2,1H3,(H,11,12)
InChIKeyFNXJEHJSDJHSFC-UHFFFAOYSA-N
XLogP1.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Piperidinepropanoic acid
CID 117782
3-[Bis(2-methylpropyl)amino]propanoic acid
CID 2057165
2-Methyl-3-(piperidin-1-yl)propanoic acid hydrochloride
CID 43810764
3-(4-Methylpiperidin-1-yl)propanoic acid
CID 1090064
3-(4-Methylpiperidin-1-yl)propanoic acid--hydrogen chloride (1/1)
CID 18593178
1-Piperidinepropanoic acid, alpha-methyl-, methyl ester, hydrochloride (1:1)
CID 3084430
3-(Piperidin-1-yl)propanoic acid hydrochloride
CID 13131921
Methyl alpha-methyl-1-piperidinepropanoate
CID 107234
3-(N-Methylpentylamino)propionic acid hydrochloride
CID 16726423
N-Methyl-N-pentyl-beta-alanine
CID 16036977
3-(2-Methylpiperidin-1-yl)propanoic acid
CID 3157941
3-[Ethyl(pentyl)amino]propanoic acid hydrochloride
CID 145874798

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-piperidin-1-ylpropanoic acid?
The IUPAC name of 2-methyl-3-piperidin-1-ylpropanoic acid (CID 4739598) is 2-methyl-3-piperidin-1-ylpropanoic acid.
What is the SMILES notation for 2-methyl-3-piperidin-1-ylpropanoic acid?
The canonical SMILES for 2-methyl-3-piperidin-1-ylpropanoic acid is CC(CN1CCCCC1)C(=O)O.
What is the InChIKey of 2-methyl-3-piperidin-1-ylpropanoic acid?
The InChIKey is FNXJEHJSDJHSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-8(9(11)12)7-10-5-3-2-4-6-10/h8H,2-7H2,1H3,(H,11,12).
What are the key properties of 2-methyl-3-piperidin-1-ylpropanoic acid?
2-methyl-3-piperidin-1-ylpropanoic acid has a molecular weight of 171.24 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-piperidin-1-ylpropanoic acid is sourced from PubChem (CID 4739598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).