4-hydroxy-3-[hydroxy(phenyl)methyl]pyrrolidine-2-carboxylic acid

C12H15NO4 — CID 70921415

IUPAC4-hydroxy-3-[hydroxy(phenyl)methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1NCC(O)C1C(O)c1ccccc1
InChIInChI=1S/C12H15NO4/c14-8-6-13-10(12(16)17)9(8)11(15)7-4-2-1-3-5-7/h1-5,8-11,13-15H,6H2,(H,16,17)
InChIKeyRLSLEZXTWREXHN-UHFFFAOYSA-N
MW237.25 g/mol
LogP-0.25
Rot. Bonds3

About 4-hydroxy-3-[hydroxy(phenyl)methyl]pyrrolidine-2-carboxylic acid

4-hydroxy-3-[hydroxy(phenyl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 70921415) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 4-hydroxy-3-[hydroxy(phenyl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-3-[hydroxy(phenyl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID70921415
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name4-hydroxy-3-[hydroxy(phenyl)methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1NCC(O)C1C(O)c1ccccc1
InChIInChI=1S/C12H15NO4/c14-8-6-13-10(12(16)17)9(8)11(15)7-4-2-1-3-5-7/h1-5,8-11,13-15H,6H2,(H,16,17)
InChIKeyRLSLEZXTWREXHN-UHFFFAOYSA-N
XLogP-0.25
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 5-0.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-hydroxy-3-(1-hydroxyethyl)pyrrolidine-2-carboxylic acid
CID 11997709
(2S,3S,4S)-4-hydroxy-3-phenoxypyrrolidine-2-carboxylic acid
CID 71294668
(2S,3S,4S)-4-hydroxy-3-phenylmethoxypyrrolidine-2-carboxylic acid
CID 71294721
cis-(1R,2S)-2-[hydroxy(phenyl)methyl]cyclopropane-1-carboxylic acid
CID 130979849
cis-(1S,2R)-2-[hydroxy(phenyl)methyl]cyclopropane-1-carboxylic acid
CID 165353427
(2S,3S,4R,5R)-3,5-dihydroxy-4-methylpiperidine-2-carboxylic acid
CID 163596404
[(2S,4R)-4-methylpyrrolidin-2-yl]-phenylmethanol
CID 101194740
ethyl 2-[3-hydroxy-2-[hydroxy(phenyl)methyl]cyclopentyl]acetate
CID 146603555
2-[hydroxy(phenyl)methyl]-4-methylcyclopentane-1-carboxylic acid
CID 114392534
phenyl-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride
CID 68687169
(2S,3S,4S)-3-hydroxy-4-phenylmethoxypyrrolidine-2-carboxylic acid
CID 71294747
1-(3,3-diphenylpropanoyl)piperazine-2,3-dicarboxylic acid
CID 11773472

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[hydroxy(phenyl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-3-[hydroxy(phenyl)methyl]pyrrolidine-2-carboxylic acid (CID 70921415) is 4-hydroxy-3-[hydroxy(phenyl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-3-[hydroxy(phenyl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-3-[hydroxy(phenyl)methyl]pyrrolidine-2-carboxylic acid is O=C(O)C1NCC(O)C1C(O)c1ccccc1.
What is the InChIKey of 4-hydroxy-3-[hydroxy(phenyl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is RLSLEZXTWREXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c14-8-6-13-10(12(16)17)9(8)11(15)7-4-2-1-3-5-7/h1-5,8-11,13-15H,6H2,(H,16,17).
What are the key properties of 4-hydroxy-3-[hydroxy(phenyl)methyl]pyrrolidine-2-carboxylic acid?
4-hydroxy-3-[hydroxy(phenyl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 237.25 g/mol, XLogP of -0.25, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[hydroxy(phenyl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 70921415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).