(2S,3S,4S)-4-hydroxy-3-phenylmethoxypyrrolidine-2-carboxylic acid

C12H15NO4 — CID 71294721

IUPAC(2S,3S,4S)-4-hydroxy-3-phenylmethoxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1NC[C@H](O)[C@H]1OCc1ccccc1
InChIInChI=1S/C12H15NO4/c14-9-6-13-10(12(15)16)11(9)17-7-8-4-2-1-3-5-8/h1-5,9-11,13-14H,6-7H2,(H,15,16)/t9-,10-,11+/m0/s1
InChIKeyGSYRWBKKYSWNEI-GARJFASQSA-N
MW237.25 g/mol
LogP-0.01
Rot. Bonds4

About (2S,3S,4S)-4-hydroxy-3-phenylmethoxypyrrolidine-2-carboxylic acid

(2S,3S,4S)-4-hydroxy-3-phenylmethoxypyrrolidine-2-carboxylic acid (PubChem CID 71294721) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is (2S,3S,4S)-4-hydroxy-3-phenylmethoxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3S,4S)-4-hydroxy-3-phenylmethoxypyrrolidine-2-carboxylic acid
PubChem CID71294721
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name(2S,3S,4S)-4-hydroxy-3-phenylmethoxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1NC[C@H](O)[C@H]1OCc1ccccc1
InChIInChI=1S/C12H15NO4/c14-9-6-13-10(12(15)16)11(9)17-7-8-4-2-1-3-5-8/h1-5,9-11,13-14H,6-7H2,(H,15,16)/t9-,10-,11+/m0/s1
InChIKeyGSYRWBKKYSWNEI-GARJFASQSA-N
XLogP-0.01
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S,4S)-3-hydroxy-4-phenylmethoxypyrrolidine-2-carboxylic acid
CID 71294747
methyl 2-[(2S,3S,4S,5S)-5-hydroxy-3,4-bis(phenylmethoxy)piperidin-2-yl]acetate
CID 101377642
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(3R,4R,5R,6R)-1,1-dioxo-4,5-bis(phenylmethoxy)thiepane-3,6-diol
CID 10524560
(3S,4R,5R,6S)-1,1-dioxo-4,5-bis(phenylmethoxy)thiepane-3,6-diol
CID 10500723
(1S,2S,3R,4R,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 102195211
(1S,3R,4R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 59435860
5-phenylmethoxypiperidine-2-carboxylic acid
CID 83646959
(1R,2R,3R,4S,5R,6R)-3-hydroxy-4,5-bis(phenylmethoxy)-7-oxabicyclo[4.1.0]heptane-2-carboxylic acid
CID 126961884
(1R,2S,3R,4S,5S,6R)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 6548176
(1S,2R,3R,4S,5R,6R)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 101254496
(1S,2S,3R,4S,5R,6S)-3,5,6-tris(phenylmethoxy)cyclohexane-1,2,4-triol
CID 10671261

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S)-4-hydroxy-3-phenylmethoxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,3S,4S)-4-hydroxy-3-phenylmethoxypyrrolidine-2-carboxylic acid (CID 71294721) is (2S,3S,4S)-4-hydroxy-3-phenylmethoxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,3S,4S)-4-hydroxy-3-phenylmethoxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,3S,4S)-4-hydroxy-3-phenylmethoxypyrrolidine-2-carboxylic acid is O=C(O)[C@H]1NC[C@H](O)[C@H]1OCc1ccccc1.
What is the InChIKey of (2S,3S,4S)-4-hydroxy-3-phenylmethoxypyrrolidine-2-carboxylic acid?
The InChIKey is GSYRWBKKYSWNEI-GARJFASQSA-N. The full InChI is InChI=1S/C12H15NO4/c14-9-6-13-10(12(15)16)11(9)17-7-8-4-2-1-3-5-8/h1-5,9-11,13-14H,6-7H2,(H,15,16)/t9-,10-,11+/m0/s1.
What are the key properties of (2S,3S,4S)-4-hydroxy-3-phenylmethoxypyrrolidine-2-carboxylic acid?
(2S,3S,4S)-4-hydroxy-3-phenylmethoxypyrrolidine-2-carboxylic acid has a molecular weight of 237.25 g/mol, XLogP of -0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S)-4-hydroxy-3-phenylmethoxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 71294721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).