1-[(2,4-dichlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid

C12H13Cl2NO3 — CID 114351539

IUPAC1-[(2,4-dichlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H13Cl2NO3/c13-8-2-1-7(10(14)3-8)5-15-6-9(16)4-11(15)12(17)18/h1-3,9,11,16H,4-6H2,(H,17,18)
InChIKeyVNNRKLXYOLNIIW-UHFFFAOYSA-N
MW290.15 g/mol
LogP2.01
Rot. Bonds3

About 1-[(2,4-dichlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid

1-[(2,4-dichlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 114351539) has the molecular formula C12H13Cl2NO3 and a molecular weight of 290.15 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID114351539
Molecular FormulaC12H13Cl2NO3
Molecular Weight290.15 g/mol
Exact Mass289.03
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H13Cl2NO3/c13-8-2-1-7(10(14)3-8)5-15-6-9(16)4-11(15)12(17)18/h1-3,9,11,16H,4-6H2,(H,17,18)
InChIKeyVNNRKLXYOLNIIW-UHFFFAOYSA-N
XLogP2.01
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-1-[(3,4-difluorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 67774272
(2S,4S)-1-[2-(2,4-dichlorophenoxy)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713514
1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 15923287
(2R,4S)-1-[(5-chloro-2-hydroxyphenyl)methyl]-4-hydroxypiperidine-2-carboxylic acid
CID 50955470
4-hydroxy-1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid
CID 114351359
1-[2-(2,4-dichlorophenyl)acetyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 43172327
1-[(2,5-dichlorophenyl)methyl]-4-methylpiperidine-2-carboxylic acid
CID 114426468
1-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351274
1-[(4-tert-butylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351284
(2S,4R)-1-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 135117897
methyl 1-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxylate
CID 112632963
1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351786

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 114351539) is 1-[(2,4-dichlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is VNNRKLXYOLNIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO3/c13-8-2-1-7(10(14)3-8)5-15-6-9(16)4-11(15)12(17)18/h1-3,9,11,16H,4-6H2,(H,17,18).
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid?
1-[(2,4-dichlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 290.15 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 114351539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).