4-(1H-indole-3-carbonylamino)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid

C20H17N3O4 — CID 19023535

IUPAC4-(1H-indole-3-carbonylamino)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid
SMILESO=C(NC1C(=O)N(c2ccccc2)CC1C(=O)O)c1c[nH]c2ccccc12
InChIInChI=1S/C20H17N3O4/c24-18(14-10-21-16-9-5-4-8-13(14)16)22-17-15(20(26)27)11-23(19(17)25)12-6-2-1-3-7-12/h1-10,15,17,21H,11H2,(H,22,24)(H,26,27)
InChIKeyTUYVXFVSHUIIJR-UHFFFAOYSA-N
MW363.37 g/mol
LogP2.01
Rot. Bonds4

About 4-(1H-indole-3-carbonylamino)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid

4-(1H-indole-3-carbonylamino)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid (PubChem CID 19023535) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is 4-(1H-indole-3-carbonylamino)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-(1H-indole-3-carbonylamino)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid
PubChem CID19023535
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name4-(1H-indole-3-carbonylamino)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid
SMILESO=C(NC1C(=O)N(c2ccccc2)CC1C(=O)O)c1c[nH]c2ccccc12
InChIInChI=1S/C20H17N3O4/c24-18(14-10-21-16-9-5-4-8-13(14)16)22-17-15(20(26)27)11-23(19(17)25)12-6-2-1-3-7-12/h1-10,15,17,21H,11H2,(H,22,24)(H,26,27)
InChIKeyTUYVXFVSHUIIJR-UHFFFAOYSA-N
XLogP2.01
TPSA102.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-4-[(4-chlorobenzoyl)amino]-5-oxo-1-phenylpyrrolidine-3-carboxylic acid
CID 67794242
cis-(1R,3S)-3-(1H-indole-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 106320270
N-(2-hydroxycyclohexyl)-1H-indole-3-carboxamide
CID 55064120
N-(1-pyridin-2-ylpyrrolidin-3-yl)-1H-indole-3-carboxamide
CID 90621383
N-(1-cyclohexylpyrrolidin-3-yl)-1H-indole-3-carboxamide
CID 167818595
N-(4-aminocyclohexyl)-1H-indole-3-carboxamide
CID 62321120
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1H-indole-3-carboxamide
CID 42512291
1-(1H-indole-3-carbonyl)azetidine-3-carboxylic acid
CID 71300283
N-(8-azabicyclo[3.2.1]octan-3-yl)-1H-indole-3-carboxamide
CID 61230821
N-(2-oxopiperidin-3-yl)-1H-indole-3-carboxamide
CID 49149499
N-(2-methylpiperidin-3-yl)-1H-indole-3-carboxamide
CID 114694981
N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1H-indole-3-carboxamide
CID 121144787

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indole-3-carbonylamino)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid?
The IUPAC name of 4-(1H-indole-3-carbonylamino)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid (CID 19023535) is 4-(1H-indole-3-carbonylamino)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-(1H-indole-3-carbonylamino)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-(1H-indole-3-carbonylamino)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid is O=C(NC1C(=O)N(c2ccccc2)CC1C(=O)O)c1c[nH]c2ccccc12.
What is the InChIKey of 4-(1H-indole-3-carbonylamino)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid?
The InChIKey is TUYVXFVSHUIIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c24-18(14-10-21-16-9-5-4-8-13(14)16)22-17-15(20(26)27)11-23(19(17)25)12-6-2-1-3-7-12/h1-10,15,17,21H,11H2,(H,22,24)(H,26,27).
What are the key properties of 4-(1H-indole-3-carbonylamino)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid?
4-(1H-indole-3-carbonylamino)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid has a molecular weight of 363.37 g/mol, XLogP of 2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indole-3-carbonylamino)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 19023535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).