(2R,4R)-1-[2-(4-chlorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide

C13H15ClN2O3 — CID 141098596

IUPAC(2R,4R)-1-[2-(4-chlorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H15ClN2O3/c14-9-3-1-8(2-4-9)5-12(18)16-7-10(17)6-11(16)13(15)19/h1-4,10-11,17H,5-7H2,(H2,15,19)/t10-,11-/m1/s1
InChIKeyQEKMNHXIFZTIAR-GHMZBOCLSA-N
MW282.73 g/mol
LogP0.33
Rot. Bonds3

About (2R,4R)-1-[2-(4-chlorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide

(2R,4R)-1-[2-(4-chlorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 141098596) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is (2R,4R)-1-[2-(4-chlorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4R)-1-[2-(4-chlorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID141098596
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name(2R,4R)-1-[2-(4-chlorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C13H15ClN2O3/c14-9-3-1-8(2-4-9)5-12(18)16-7-10(17)6-11(16)13(15)19/h1-4,10-11,17H,5-7H2,(H2,15,19)/t10-,11-/m1/s1
InChIKeyQEKMNHXIFZTIAR-GHMZBOCLSA-N
XLogP0.33
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2S,4R)-2-[3-(4-chlorophenyl)propanoyl]-4-hydroxypyrrolidin-1-yl]-4-oxobutanamide
CID 147474766
(2S)-4-hydroxy-1-[2-(4-hydroxyphenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 61151655
(2S,4S)-1-[2-(4-bromophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 30120664
(2R,4R)-1-[2-(3-chlorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000883
N-[(4-chlorophenyl)methyl]-4-hydroxy-1-[2-[3-(hydroxymethyl)phenyl]acetyl]pyrrolidine-2-carboxamide
CID 123563649
4-hydroxy-1-propanoylpyrrolidine-2-carboxamide
CID 64591082
(2S)-N-[(4-chlorophenyl)methyl]-4-hydroxy-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxamide
CID 146357871
1-(2-anilinoacetyl)-4-hydroxypyrrolidine-2-carboxamide
CID 54874193
(2R,4R)-4-hydroxy-1-[4-[4-(2-methylpropyl)phenyl]-4-oxobutanoyl]pyrrolidine-2-carboxamide
CID 97083149
(2S,4R)-1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63844015
1-[2-(3-aminophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 65349873
(2S,4S)-1-[3-(4-chlorophenyl)sulfanylpropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714567

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-[2-(4-chlorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of (2R,4R)-1-[2-(4-chlorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide (CID 141098596) is (2R,4R)-1-[2-(4-chlorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4R)-1-[2-(4-chlorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4R)-1-[2-(4-chlorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide is NC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of (2R,4R)-1-[2-(4-chlorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is QEKMNHXIFZTIAR-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c14-9-3-1-8(2-4-9)5-12(18)16-7-10(17)6-11(16)13(15)19/h1-4,10-11,17H,5-7H2,(H2,15,19)/t10-,11-/m1/s1.
What are the key properties of (2R,4R)-1-[2-(4-chlorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide?
(2R,4R)-1-[2-(4-chlorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 282.73 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-[2-(4-chlorophenyl)acetyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 141098596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).