(2R)-1-[1-(2-chlorophenyl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid

C14H17ClN2O3 — CID 78922688

IUPAC(2R)-1-[1-(2-chlorophenyl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC(NC(=O)N1CCC[C@@H]1C(=O)O)c1ccccc1Cl
InChIInChI=1S/C14H17ClN2O3/c1-9(10-5-2-3-6-11(10)15)16-14(20)17-8-4-7-12(17)13(18)19/h2-3,5-6,9,12H,4,7-8H2,1H3,(H,16,20)(H,18,19)/t9?,12-/m1/s1
InChIKeyXOUUWXXLOCYPRP-FFFFSGIJSA-N
MW296.75 g/mol
LogP2.66
Rot. Bonds3

About (2R)-1-[1-(2-chlorophenyl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[1-(2-chlorophenyl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 78922688) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is (2R)-1-[1-(2-chlorophenyl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[1-(2-chlorophenyl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID78922688
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name(2R)-1-[1-(2-chlorophenyl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC(NC(=O)N1CCC[C@@H]1C(=O)O)c1ccccc1Cl
InChIInChI=1S/C14H17ClN2O3/c1-9(10-5-2-3-6-11(10)15)16-14(20)17-8-4-7-12(17)13(18)19/h2-3,5-6,9,12H,4,7-8H2,1H3,(H,16,20)(H,18,19)/t9?,12-/m1/s1
InChIKeyXOUUWXXLOCYPRP-FFFFSGIJSA-N
XLogP2.66
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-naphthalen-1-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 15920376
1-[[(1S)-1-(2-chlorophenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122015572
1-(1-phenylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 63010608
(2R)-1-[1-(2,5-dimethylthiophen-3-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922641
(2R)-2-(2-chlorophenyl)-2-[(2-methylpyrrolidine-1-carbonyl)amino]acetic acid
CID 107316001
(2S)-1-[(2-chlorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 28509931
1-[1-(2-chlorophenyl)ethylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720419
N-[1-(2-chlorophenyl)-2-methylpropyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428345
N-[1-(2-chlorophenyl)ethyl]morpholine-4-carboxamide
CID 115575696
(2R)-1-[2-[(2,3-dichlorobenzoyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 119372200
bicyclo[3.1.0]hexane;1-(2-chlorophenyl)ethylurea
CID 174302962
1-(4-bromophenyl)sulfonyl-N-[1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 42889021

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[1-(2-chlorophenyl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[1-(2-chlorophenyl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid (CID 78922688) is (2R)-1-[1-(2-chlorophenyl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[1-(2-chlorophenyl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[1-(2-chlorophenyl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid is CC(NC(=O)N1CCC[C@@H]1C(=O)O)c1ccccc1Cl.
What is the InChIKey of (2R)-1-[1-(2-chlorophenyl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is XOUUWXXLOCYPRP-FFFFSGIJSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-9(10-5-2-3-6-11(10)15)16-14(20)17-8-4-7-12(17)13(18)19/h2-3,5-6,9,12H,4,7-8H2,1H3,(H,16,20)(H,18,19)/t9?,12-/m1/s1.
What are the key properties of (2R)-1-[1-(2-chlorophenyl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[1-(2-chlorophenyl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 296.75 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[1-(2-chlorophenyl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78922688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).