1-(1-phenylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid

C15H20N2O3 — CID 63010608

IUPAC1-(1-phenylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCC(Cc1ccccc1)NC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C15H20N2O3/c1-11(10-12-6-3-2-4-7-12)16-15(20)17-9-5-8-13(17)14(18)19/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyQLJZNTROLIWPQM-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.88
Rot. Bonds4

About 1-(1-phenylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid

1-(1-phenylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 63010608) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(1-phenylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-phenylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
PubChem CID63010608
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-(1-phenylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCC(Cc1ccccc1)NC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C15H20N2O3/c1-11(10-12-6-3-2-4-7-12)16-15(20)17-9-5-8-13(17)14(18)19/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyQLJZNTROLIWPQM-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(4-methylpentan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61197461
1-(5-methylhexan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 63925924
1-(1-cyclopropylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 63996144
(2S)-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid
CID 10039116
(2S)-1-(hexan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 55050550
1-(1-naphthalen-1-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 15920376
(2R)-1-[(2S)-2-(3-hydroxybutanoylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid
CID 71407969
(2S)-1-[4-(1,3-diphenylpropan-2-ylamino)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid
CID 97302032
(2R)-1-[1-(2-chlorophenyl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922688
(2S)-1-(2-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 28509967
1-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61460902
1-[(2R)-3-phenyl-2-(propan-2-ylsulfamoylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 67652168

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(1-phenylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid (CID 63010608) is 1-(1-phenylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-phenylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(1-phenylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid is CC(Cc1ccccc1)NC(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-(1-phenylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is QLJZNTROLIWPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11(10-12-6-3-2-4-7-12)16-15(20)17-9-5-8-13(17)14(18)19/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 1-(1-phenylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
1-(1-phenylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 63010608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).