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

C15H20N2O3 — CID 79756204

IUPAC(2R)-1-[2-(2-methylphenyl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCc1ccccc1CCNC(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C15H20N2O3/c1-11-5-2-3-6-12(11)8-9-16-15(20)17-10-4-7-13(17)14(18)19/h2-3,5-6,13H,4,7-10H2,1H3,(H,16,20)(H,18,19)/t13-/m1/s1
InChIKeyUZBGEIDGJUHJHN-CYBMUJFWSA-N
MW276.34 g/mol
LogP1.80
Rot. Bonds4

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

(2R)-1-[2-(2-methylphenyl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 79756204) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (2R)-1-[2-(2-methylphenyl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-(2-methylphenyl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID79756204
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(2R)-1-[2-(2-methylphenyl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCc1ccccc1CCNC(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C15H20N2O3/c1-11-5-2-3-6-12(11)8-9-16-15(20)17-10-4-7-13(17)14(18)19/h2-3,5-6,13H,4,7-10H2,1H3,(H,16,20)(H,18,19)/t13-/m1/s1
InChIKeyUZBGEIDGJUHJHN-CYBMUJFWSA-N
XLogP1.80
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(2-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 28509967
1-[(2-ethylphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 64695971
1-(2-pyridin-2-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61185230
(2S)-1-[(2-chlorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 28509931
(2R)-1-[(2-methoxyphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78923027
1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 103009203
1-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61188498
(2S)-1-(2-thiophen-3-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 54954110
1-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 55174454
(2R)-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78930077
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 113363783
3-(methanesulfonamido)-N-[2-(2-methylphenyl)ethyl]piperidine-1-carboxamide
CID 51083667

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(2-methylphenyl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-(2-methylphenyl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid (CID 79756204) is (2R)-1-[2-(2-methylphenyl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-(2-methylphenyl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-(2-methylphenyl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid is Cc1ccccc1CCNC(=O)N1CCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[2-(2-methylphenyl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is UZBGEIDGJUHJHN-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11-5-2-3-6-12(11)8-9-16-15(20)17-10-4-7-13(17)14(18)19/h2-3,5-6,13H,4,7-10H2,1H3,(H,16,20)(H,18,19)/t13-/m1/s1.
What are the key properties of (2R)-1-[2-(2-methylphenyl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2-(2-methylphenyl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(2-methylphenyl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 79756204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).