(2R)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylacetic acid

C14H19NO3 — CID 11172721

IUPAC(2R)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylacetic acid
SMILESCOC[C@@H]1CCCN1[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-18-10-12-8-5-9-15(12)13(14(16)17)11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3,(H,16,17)/t12-,13+/m0/s1
InChIKeyPRBAQCTZZKDRDZ-QWHCGFSZSA-N
MW249.31 g/mol
LogP1.92
Rot. Bonds5

About (2R)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylacetic acid

(2R)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylacetic acid (PubChem CID 11172721) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2R)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylacetic acid
PubChem CID11172721
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(2R)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylacetic acid
SMILESCOC[C@@H]1CCCN1[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C14H19NO3/c1-18-10-12-8-5-9-15(12)13(14(16)17)11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3,(H,16,17)/t12-,13+/m0/s1
InChIKeyPRBAQCTZZKDRDZ-QWHCGFSZSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(S)-carboxy(phenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 71614177
(2R)-2-[(2R)-2-methylpiperidin-1-yl]-2-phenylacetic acid
CID 1091381
2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]benzoic acid
CID 129496688
methylamino 2-[2-(hydroxymethyl)piperidin-1-yl]-2-phenylacetate
CID 175247187
(2S)-2-[(2S)-2-(methoxymethyl)piperidin-1-yl]propanoic acid
CID 129359564
ethyl 2-(2-ethylazepan-1-yl)-2-phenylacetate
CID 106677138
(2R)-1-(1,3-diphenylprop-2-ynyl)-2-(methoxymethyl)piperidine
CID 25150487
(2S)-2-[methoxy(diphenyl)methyl]-1-propan-2-ylpyrrolidine;(2S)-2-(methoxymethyl)-1-propan-2-ylpyrrolidine
CID 160513708
(2R)-2-phenyl-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 129426199
methyl (2S)-2-phenyl-2-[(2R)-2-phenylpyrrolidin-1-yl]acetate
CID 102206721
2-[1-(2-methoxy-1-phenylethyl)piperidin-2-yl]acetic acid
CID 103466206
(2S)-2-phenyl-N-propan-2-yl-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 129427084

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylacetic acid (CID 11172721) is (2R)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylacetic acid is COC[C@@H]1CCCN1[C@@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylacetic acid?
The InChIKey is PRBAQCTZZKDRDZ-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H19NO3/c1-18-10-12-8-5-9-15(12)13(14(16)17)11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3,(H,16,17)/t12-,13+/m0/s1.
What are the key properties of (2R)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylacetic acid?
(2R)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylacetic acid has a molecular weight of 249.31 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylacetic acid is sourced from PubChem (CID 11172721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).