(2S)-1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidine-2-carboxylic acid

C14H14N2O4 — CID 96669399

IUPAC(2S)-1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C1Cc2cc(C(=O)N3CCC[C@H]3C(=O)O)ccc2N1
InChIInChI=1S/C14H14N2O4/c17-12-7-9-6-8(3-4-10(9)15-12)13(18)16-5-1-2-11(16)14(19)20/h3-4,6,11H,1-2,5,7H2,(H,15,17)(H,19,20)/t11-/m0/s1
InChIKeyVIJGSMDNAPYOJL-NSHDSACASA-N
MW274.28 g/mol
LogP0.87
Rot. Bonds2

About (2S)-1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidine-2-carboxylic acid

(2S)-1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 96669399) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is (2S)-1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID96669399
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name(2S)-1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C1Cc2cc(C(=O)N3CCC[C@H]3C(=O)O)ccc2N1
InChIInChI=1S/C14H14N2O4/c17-12-7-9-6-8(3-4-10(9)15-12)13(18)16-5-1-2-11(16)14(19)20/h3-4,6,11H,1-2,5,7H2,(H,15,17)(H,19,20)/t11-/m0/s1
InChIKeyVIJGSMDNAPYOJL-NSHDSACASA-N
XLogP0.87
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2-carboxylic acid
CID 102711591
2-[1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidin-2-yl]acetic acid
CID 102710678
1-(2,3-dihydro-1H-indole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 61157126
3-methyl-1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 102775453
(2S)-1-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]pyrrolidine-2-carboxylic acid
CID 45290992
(2S)-1-[3-[(2S)-2-carboxypyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 11142918
5-(oxazinane-2-carbonyl)-1,3-dihydroindol-2-one
CID 102711392
1-(3,4-difluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 13016794
5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
CID 110800434
(2S)-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxylic acid
CID 822734
(2S)-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 10508341
4-hydroxy-1-(2-oxo-1,3-dihydroindole-6-carbonyl)pyrrolidine-2-carboxylic acid
CID 102710605

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidine-2-carboxylic acid (CID 96669399) is (2S)-1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidine-2-carboxylic acid is O=C1Cc2cc(C(=O)N3CCC[C@H]3C(=O)O)ccc2N1.
What is the InChIKey of (2S)-1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is VIJGSMDNAPYOJL-NSHDSACASA-N. The full InChI is InChI=1S/C14H14N2O4/c17-12-7-9-6-8(3-4-10(9)15-12)13(18)16-5-1-2-11(16)14(19)20/h3-4,6,11H,1-2,5,7H2,(H,15,17)(H,19,20)/t11-/m0/s1.
What are the key properties of (2S)-1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-oxo-1,3-dihydroindole-5-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 96669399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).