(2S)-4-hydroxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylic acid

C13H17NO4 — CID 155211250

IUPAC(2S)-4-hydroxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CC(O)C[C@H]1COCc1ccccc1
InChIInChI=1S/C13H17NO4/c15-12-6-11(14(7-12)13(16)17)9-18-8-10-4-2-1-3-5-10/h1-5,11-12,15H,6-9H2,(H,16,17)/t11-,12?/m0/s1
InChIKeyMJQXURYKKZDFCP-PXYINDEMSA-N
MW251.28 g/mol
LogP1.32
Rot. Bonds4

About (2S)-4-hydroxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylic acid

(2S)-4-hydroxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylic acid (PubChem CID 155211250) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylic acid
PubChem CID155211250
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name(2S)-4-hydroxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CC(O)C[C@H]1COCc1ccccc1
InChIInChI=1S/C13H17NO4/c15-12-6-11(14(7-12)13(16)17)9-18-8-10-4-2-1-3-5-10/h1-5,11-12,15H,6-9H2,(H,16,17)/t11-,12?/m0/s1
InChIKeyMJQXURYKKZDFCP-PXYINDEMSA-N
XLogP1.32
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidine-1-carboxylic acid
CID 141362787
(2S,4S)-4-hydroxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid
CID 66670441
phenyl (2S,4R)-2-(phenylmethoxymethyl)-4-sulfanylpyrrolidine-1-carboxylate
CID 87831355
4-[[(2S,4R)-4-hydroxy-1-phenylmethoxycarbonylpyrrolidin-2-yl]methoxy]benzoic acid
CID 66596388
benzyl (2S,4S)-2-formyl-4-hydroxypyrrolidine-1-carboxylate
CID 54234603
tert-butyl (2S,4R)-4-methyl-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 130998757
(2S,4R)-2-(difluoromethoxymethyl)-4-hydroxypyrrolidine-1-carboxylic acid
CID 175152885
4-(phenylmethoxymethyl)cyclopentane-1,2-diol
CID 12717277
4-(phenylmethoxymethyl)oxathiazolidine-3-carboxylic acid
CID 135371846
dibenzyl (2S)-4-hydroxypyrrolidine-1,2-dicarboxylate
CID 57008512
benzyl 2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate
CID 18520553
trans-(1R,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylic acid
CID 86340040

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of (2S)-4-hydroxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylic acid (CID 155211250) is (2S)-4-hydroxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S)-4-hydroxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S)-4-hydroxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylic acid is O=C(O)N1CC(O)C[C@H]1COCc1ccccc1.
What is the InChIKey of (2S)-4-hydroxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylic acid?
The InChIKey is MJQXURYKKZDFCP-PXYINDEMSA-N. The full InChI is InChI=1S/C13H17NO4/c15-12-6-11(14(7-12)13(16)17)9-18-8-10-4-2-1-3-5-10/h1-5,11-12,15H,6-9H2,(H,16,17)/t11-,12?/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylic acid?
(2S)-4-hydroxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylic acid has a molecular weight of 251.28 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 155211250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).