(2S)-4-hydroxy-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxylic acid

C14H14N2O4 — CID 61151803

IUPAC(2S)-4-hydroxy-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(O)CN1C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C14H14N2O4/c17-9-6-12(14(19)20)16(7-9)13(18)11-5-8-3-1-2-4-10(8)15-11/h1-5,9,12,15,17H,6-7H2,(H,19,20)/t9?,12-/m0/s1
InChIKeyZWUHPWLDGWHHBY-ACGXKRRESA-N
MW274.28 g/mol
LogP0.83
Rot. Bonds2

About (2S)-4-hydroxy-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxylic acid

(2S)-4-hydroxy-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 61151803) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is (2S)-4-hydroxy-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID61151803
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name(2S)-4-hydroxy-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(O)CN1C(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C14H14N2O4/c17-9-6-12(14(19)20)16(7-9)13(18)11-5-8-3-1-2-4-10(8)15-11/h1-5,9,12,15,17H,6-7H2,(H,19,20)/t9?,12-/m0/s1
InChIKeyZWUHPWLDGWHHBY-ACGXKRRESA-N
XLogP0.83
TPSA93.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-indole-2-carbonyl)piperidine-2-carboxylic acid
CID 43187100
(2S)-4-hydroxy-1-(1H-pyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 61151805
(2R,4R)-4-hydroxy-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 166179285
(2S)-4-hydroxy-1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 61151942
(3-aminoazetidin-1-yl)-(1H-indol-2-yl)methanone
CID 65244567
(2S,4S)-1-(4-chloro-1H-pyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 28741560
(2S,4R)-4-hydroxy-1-[1-(1H-indole-2-carbonyl)piperidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 110197379
2-[(3S)-4-(1H-indole-2-carbonyl)-3-methylpiperazin-1-yl]-2-oxoacetic acid
CID 155255124
(2S)-1-(2-bromobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61151791
(2-bromopyrrolidin-1-yl)-(1H-indol-2-yl)methanone
CID 90014378
(2S,4R)-4-hydroxy-1-(1H-indole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 63857115
5-hydroxy-1-(6-phenyl-1H-indole-2-carbonyl)piperidine-3-carboxylic acid
CID 167843616

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-4-hydroxy-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxylic acid (CID 61151803) is (2S)-4-hydroxy-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-hydroxy-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-hydroxy-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CC(O)CN1C(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of (2S)-4-hydroxy-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is ZWUHPWLDGWHHBY-ACGXKRRESA-N. The full InChI is InChI=1S/C14H14N2O4/c17-9-6-12(14(19)20)16(7-9)13(18)11-5-8-3-1-2-4-10(8)15-11/h1-5,9,12,15,17H,6-7H2,(H,19,20)/t9?,12-/m0/s1.
What are the key properties of (2S)-4-hydroxy-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-4-hydroxy-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 0.83, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61151803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).