(2S)-2-[(3S)-3-methylpiperidin-1-yl]propanoic acid

C9H17NO2 — CID 42307253

IUPAC(2S)-2-[(3S)-3-methylpiperidin-1-yl]propanoic acid
SMILESC[C@H]1CCCN([C@@H](C)C(=O)O)C1
InChIInChI=1S/C9H17NO2/c1-7-4-3-5-10(6-7)8(2)9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)/t7-,8-/m0/s1
InChIKeyOCZRLJCNPUUQIX-YUMQZZPRSA-N
MW171.24 g/mol
LogP1.19
Rot. Bonds2

About (2S)-2-[(3S)-3-methylpiperidin-1-yl]propanoic acid

(2S)-2-[(3S)-3-methylpiperidin-1-yl]propanoic acid (PubChem CID 42307253) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (2S)-2-[(3S)-3-methylpiperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3S)-3-methylpiperidin-1-yl]propanoic acid
PubChem CID42307253
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(2S)-2-[(3S)-3-methylpiperidin-1-yl]propanoic acid
SMILESC[C@H]1CCCN([C@@H](C)C(=O)O)C1
InChIInChI=1S/C9H17NO2/c1-7-4-3-5-10(6-7)8(2)9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)/t7-,8-/m0/s1
InChIKeyOCZRLJCNPUUQIX-YUMQZZPRSA-N
XLogP1.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

Analyze (2S)-2-[(3S)-3-methylpiperidin-1-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-3-methyl-2-[(3R)-3-methylpiperidin-1-yl]butanoic acid
CID 42309455
ethyl 2-(3-methylpiperidin-1-yl)propanoate
CID 25219169
2-(3-methylpiperidin-1-yl)butanoic acid
CID 43235109
2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]propanoic acid
CID 119135088
2-(3,5-dimethylpiperidin-1-yl)propanoic acid
CID 20985542
(2S)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]propanoic acid
CID 129413747
2-(3,4-dimethylpiperazin-1-yl)propanoic acid
CID 63609228
2-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)propanamide
CID 46800680
(2R)-2-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 127263393
2-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 45074903
2-(3-methylpiperidin-1-yl)sulfonylpropanoic acid
CID 61454331
N-(4-acetylphenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 4825469

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3S)-3-methylpiperidin-1-yl]propanoic acid?
The IUPAC name of (2S)-2-[(3S)-3-methylpiperidin-1-yl]propanoic acid (CID 42307253) is (2S)-2-[(3S)-3-methylpiperidin-1-yl]propanoic acid.
What is the SMILES notation for (2S)-2-[(3S)-3-methylpiperidin-1-yl]propanoic acid?
The canonical SMILES for (2S)-2-[(3S)-3-methylpiperidin-1-yl]propanoic acid is C[C@H]1CCCN([C@@H](C)C(=O)O)C1.
What is the InChIKey of (2S)-2-[(3S)-3-methylpiperidin-1-yl]propanoic acid?
The InChIKey is OCZRLJCNPUUQIX-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7-4-3-5-10(6-7)8(2)9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)/t7-,8-/m0/s1.
What are the key properties of (2S)-2-[(3S)-3-methylpiperidin-1-yl]propanoic acid?
(2S)-2-[(3S)-3-methylpiperidin-1-yl]propanoic acid has a molecular weight of 171.24 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3S)-3-methylpiperidin-1-yl]propanoic acid is sourced from PubChem (CID 42307253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).