3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propanoic acid

C14H19NO3 — CID 124688481

IUPAC3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propanoic acid
SMILESCOc1cccc([C@H]2CCCN2CCC(=O)O)c1
InChIInChI=1S/C14H19NO3/c1-18-12-5-2-4-11(10-12)13-6-3-8-15(13)9-7-14(16)17/h2,4-5,10,13H,3,6-9H2,1H3,(H,16,17)/t13-/m1/s1
InChIKeyKNQIWKXCQFQYAU-CYBMUJFWSA-N
MW249.31 g/mol
LogP2.31
Rot. Bonds5

About 3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propanoic acid

3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propanoic acid (PubChem CID 124688481) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propanoic acid
PubChem CID124688481
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propanoic acid
SMILESCOc1cccc([C@H]2CCCN2CCC(=O)O)c1
InChIInChI=1S/C14H19NO3/c1-18-12-5-2-4-11(10-12)13-6-3-8-15(13)9-7-14(16)17/h2,4-5,10,13H,3,6-9H2,1H3,(H,16,17)/t13-/m1/s1
InChIKeyKNQIWKXCQFQYAU-CYBMUJFWSA-N
XLogP2.31
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S)-2-(3-methoxyphenyl)piperidin-1-yl]propanoic acid
CID 95716440
N-cyclohexyl-3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]propanamide
CID 51313431
(2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine
CID 95154091
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
3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51471448
3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 55569285
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
1-[3-(benzenesulfonyl)propyl]-2-(3-methoxyphenyl)pyrrolidine
CID 55923064
2-[2-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 77097604

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propanoic acid?
The IUPAC name of 3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propanoic acid (CID 124688481) is 3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propanoic acid?
The canonical SMILES for 3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propanoic acid is COc1cccc([C@H]2CCCN2CCC(=O)O)c1.
What is the InChIKey of 3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propanoic acid?
The InChIKey is KNQIWKXCQFQYAU-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19NO3/c1-18-12-5-2-4-11(10-12)13-6-3-8-15(13)9-7-14(16)17/h2,4-5,10,13H,3,6-9H2,1H3,(H,16,17)/t13-/m1/s1.
What are the key properties of 3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propanoic acid?
3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propanoic acid has a molecular weight of 249.31 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propanoic acid is sourced from PubChem (CID 124688481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).