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

C15H21NO3 — CID 95716440

IUPAC3-[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]propanoic acid
SMILESCOc1cccc([C@@H]2CCCCN2CCC(=O)O)c1
InChIInChI=1S/C15H21NO3/c1-19-13-6-4-5-12(11-13)14-7-2-3-9-16(14)10-8-15(17)18/h4-6,11,14H,2-3,7-10H2,1H3,(H,17,18)/t14-/m0/s1
InChIKeyWLGSNBNZUUOKPT-AWEZNQCLSA-N
MW263.34 g/mol
LogP2.70
Rot. Bonds5

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

3-[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]propanoic acid (PubChem CID 95716440) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]propanoic acid
PubChem CID95716440
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]propanoic acid
SMILESCOc1cccc([C@@H]2CCCCN2CCC(=O)O)c1
InChIInChI=1S/C15H21NO3/c1-19-13-6-4-5-12(11-13)14-7-2-3-9-16(14)10-8-15(17)18/h4-6,11,14H,2-3,7-10H2,1H3,(H,17,18)/t14-/m0/s1
InChIKeyWLGSNBNZUUOKPT-AWEZNQCLSA-N
XLogP2.70
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propanoic acid
CID 124688481
N-cyclohexyl-3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propanamide
CID 51313431
4-[2-(4-methoxyphenyl)azepan-1-yl]butanoic acid
CID 119134501
(2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine
CID 95154091
3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 55569285
3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51471448
1-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethyl]piperidin-4-ol
CID 45242464
ethyl 2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetate
CID 51075197
CID 174954168
CID 174954168
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 86916010
1-(cyclopropylmethyl)-2-(3-methoxyphenyl)pyrrolidine
CID 23361278
methyl 1-[2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate
CID 51470159

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]propanoic acid?
The IUPAC name of 3-[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]propanoic acid (CID 95716440) is 3-[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]propanoic acid?
The canonical SMILES for 3-[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]propanoic acid is COc1cccc([C@@H]2CCCCN2CCC(=O)O)c1.
What is the InChIKey of 3-[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]propanoic acid?
The InChIKey is WLGSNBNZUUOKPT-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21NO3/c1-19-13-6-4-5-12(11-13)14-7-2-3-9-16(14)10-8-15(17)18/h4-6,11,14H,2-3,7-10H2,1H3,(H,17,18)/t14-/m0/s1.
What are the key properties of 3-[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]propanoic acid?
3-[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]propanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]propanoic acid is sourced from PubChem (CID 95716440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).