(2S)-1-(2-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid

C14H18N2O3 — CID 28509967

IUPAC(2S)-1-(2-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)NCCc1ccccc1
InChIInChI=1S/C14H18N2O3/c17-13(18)12-7-4-10-16(12)14(19)15-9-8-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,15,19)(H,17,18)/t12-/m0/s1
InChIKeyYTEQLLTUEKAAEU-LBPRGKRZSA-N
MW262.31 g/mol
LogP1.49
Rot. Bonds4

About (2S)-1-(2-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid

(2S)-1-(2-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 28509967) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is (2S)-1-(2-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid
PubChem CID28509967
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name(2S)-1-(2-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)NCCc1ccccc1
InChIInChI=1S/C14H18N2O3/c17-13(18)12-7-4-10-16(12)14(19)15-9-8-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,15,19)(H,17,18)/t12-/m0/s1
InChIKeyYTEQLLTUEKAAEU-LBPRGKRZSA-N
XLogP1.49
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(2-thiophen-3-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 54954110
(2R)-1-[2-(2-methylphenyl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 79756204
1-(2-pyridin-2-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61185230
(2S)-1-N-benzyl-2-N-[2-(4-chlorophenyl)ethyl]pyrrolidine-1,2-dicarboxamide
CID 1468798
(2S)-1-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrolidine-2-carboxylic acid
CID 75384682
(2S)-1-[2-(2-phenylethylamino)acetyl]piperidine-2-carboxylic acid
CID 22958470
1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 103009203
1-[(2-ethylphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 64695971
(2S)-1-[2-(1,3-thiazol-2-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78927419
1-[(3-fluorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61195010
(2S)-1-[(3-bromophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 54595787
(2R)-1-[(3-bromophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922791

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid (CID 28509967) is (2S)-1-(2-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1C(=O)NCCc1ccccc1.
What is the InChIKey of (2S)-1-(2-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is YTEQLLTUEKAAEU-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-13(18)12-7-4-10-16(12)14(19)15-9-8-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,15,19)(H,17,18)/t12-/m0/s1.
What are the key properties of (2S)-1-(2-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(2-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 28509967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).