(2R,3R,4R)-2-(hydroxymethyl)-4-methyl-3-phenylmethoxypyrrolidine-2-carboxylic acid

C14H19NO4 — CID 102050059

IUPAC(2R,3R,4R)-2-(hydroxymethyl)-4-methyl-3-phenylmethoxypyrrolidine-2-carboxylic acid
SMILESC[C@@H]1CN[C@@](CO)(C(=O)O)[C@@H]1OCc1ccccc1
InChIInChI=1S/C14H19NO4/c1-10-7-15-14(9-16,13(17)18)12(10)19-8-11-5-3-2-4-6-11/h2-6,10,12,15-16H,7-9H2,1H3,(H,17,18)/t10-,12-,14-/m1/s1
InChIKeyDQQZXOMIUCPCIV-MPKXVKKWSA-N
MW265.31 g/mol
LogP0.63
Rot. Bonds5

About (2R,3R,4R)-2-(hydroxymethyl)-4-methyl-3-phenylmethoxypyrrolidine-2-carboxylic acid

(2R,3R,4R)-2-(hydroxymethyl)-4-methyl-3-phenylmethoxypyrrolidine-2-carboxylic acid (PubChem CID 102050059) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2R,3R,4R)-2-(hydroxymethyl)-4-methyl-3-phenylmethoxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3R,4R)-2-(hydroxymethyl)-4-methyl-3-phenylmethoxypyrrolidine-2-carboxylic acid
PubChem CID102050059
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(2R,3R,4R)-2-(hydroxymethyl)-4-methyl-3-phenylmethoxypyrrolidine-2-carboxylic acid
SMILESC[C@@H]1CN[C@@](CO)(C(=O)O)[C@@H]1OCc1ccccc1
InChIInChI=1S/C14H19NO4/c1-10-7-15-14(9-16,13(17)18)12(10)19-8-11-5-3-2-4-6-11/h2-6,10,12,15-16H,7-9H2,1H3,(H,17,18)/t10-,12-,14-/m1/s1
InChIKeyDQQZXOMIUCPCIV-MPKXVKKWSA-N
XLogP0.63
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl L-prolinate hydrochloride
CID 3084256
Proline benzyl ester
CID 99767
benzyl (2R)-pyrrolidine-2-carboxylate hydrochloride
CID 22827650
Methyl 2-{[1-(2-{[(benzyloxy)carbonyl]amino}acetyl)pyrrolidin-2-YL]formamido}-3-hydroxypropanoate
CID 24761596
Benzyl L-prolinate
CID 736155
(2S,3R)-Methyl 2-(((benzyloxy)carbonyl)amino)-3-hydroxybutanoate
CID 2733409
Proline benzyl ester hydrochloride
CID 2733413
1-[(Benzyloxy)carbonyl]-4-hydroxy-2-methylpyrrolidine-2-carboxylic acid
CID 77261009
Cbz-Thr(tBu)-Leu-Ala((S)-2-oxopyrrolidin-3-yl)-ol
CID 155804577
benzyl (2S,3R)-3-acetyloxy-2-[[(2S)-2-[[(2S)-1-[(2S)-2-hydroxypropanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoyl]amino]butanoate
CID 44355436
Benzyl (4R)-4-hydroxy-L-prolinate--hydrogen chloride (1/1)
CID 16212860
Methyl 2-{[(benzyloxy)carbonyl]amino}-3-hydroxybutanoate
CID 324008

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2-(hydroxymethyl)-4-methyl-3-phenylmethoxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,3R,4R)-2-(hydroxymethyl)-4-methyl-3-phenylmethoxypyrrolidine-2-carboxylic acid (CID 102050059) is (2R,3R,4R)-2-(hydroxymethyl)-4-methyl-3-phenylmethoxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,3R,4R)-2-(hydroxymethyl)-4-methyl-3-phenylmethoxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,3R,4R)-2-(hydroxymethyl)-4-methyl-3-phenylmethoxypyrrolidine-2-carboxylic acid is C[C@@H]1CN[C@@](CO)(C(=O)O)[C@@H]1OCc1ccccc1.
What is the InChIKey of (2R,3R,4R)-2-(hydroxymethyl)-4-methyl-3-phenylmethoxypyrrolidine-2-carboxylic acid?
The InChIKey is DQQZXOMIUCPCIV-MPKXVKKWSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10-7-15-14(9-16,13(17)18)12(10)19-8-11-5-3-2-4-6-11/h2-6,10,12,15-16H,7-9H2,1H3,(H,17,18)/t10-,12-,14-/m1/s1.
What are the key properties of (2R,3R,4R)-2-(hydroxymethyl)-4-methyl-3-phenylmethoxypyrrolidine-2-carboxylic acid?
(2R,3R,4R)-2-(hydroxymethyl)-4-methyl-3-phenylmethoxypyrrolidine-2-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-2-(hydroxymethyl)-4-methyl-3-phenylmethoxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102050059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).