(2R,4R)-4-hydroxy-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid

C15H14N2O5 — CID 166179285

IUPAC(2R,4R)-4-hydroxy-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](O)CN1C(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C15H14N2O5/c18-8-5-12(15(21)22)17(7-8)14(20)10-6-13(19)16-11-4-2-1-3-9(10)11/h1-4,6,8,12,18H,5,7H2,(H,16,19)(H,21,22)/t8-,12-/m1/s1
InChIKeyLEXVAUYEFJHVMK-PRHODGIISA-N
MW302.29 g/mol
LogP0.19
Rot. Bonds2

About (2R,4R)-4-hydroxy-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid

(2R,4R)-4-hydroxy-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 166179285) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is (2R,4R)-4-hydroxy-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-hydroxy-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID166179285
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC Name(2R,4R)-4-hydroxy-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](O)CN1C(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C15H14N2O5/c18-8-5-12(15(21)22)17(7-8)14(20)10-6-13(19)16-11-4-2-1-3-9(10)11/h1-4,6,8,12,18H,5,7H2,(H,16,19)(H,21,22)/t8-,12-/m1/s1
InChIKeyLEXVAUYEFJHVMK-PRHODGIISA-N
XLogP0.19
TPSA110.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-4-hydroxy-1-(1H-indole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 63857115
(2S)-4-hydroxy-1-(1H-indole-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 61151803
(2S)-4-hydroxy-1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 61151942
4-(3-hydroxypiperidine-1-carbonyl)-1H-quinolin-2-one
CID 43390694
(2S,4S)-4-hydroxy-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 104772709
4-(2-methyl-3-oxopiperazine-1-carbonyl)-1H-quinolin-2-one
CID 63606060
4-[(2R)-2-methylpiperazine-1-carbonyl]-1H-quinolin-2-one
CID 82704916
4-(1,3-dihydroisoindole-2-carbonyl)-1H-quinolin-2-one
CID 72892217
(2S,4R)-4-hydroxy-1-[2-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 63856754
4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl)-1H-quinolin-2-one
CID 71940629
4-[(2R)-2-phenylmorpholine-4-carbonyl]-1H-quinolin-2-one
CID 31415081
4-[(2R,3S)-2-(hydroxymethyl)-3-phenylmorpholine-4-carbonyl]-1H-quinolin-2-one
CID 155505387

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-hydroxy-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-4-hydroxy-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid (CID 166179285) is (2R,4R)-4-hydroxy-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-4-hydroxy-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-4-hydroxy-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1C[C@@H](O)CN1C(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of (2R,4R)-4-hydroxy-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is LEXVAUYEFJHVMK-PRHODGIISA-N. The full InChI is InChI=1S/C15H14N2O5/c18-8-5-12(15(21)22)17(7-8)14(20)10-6-13(19)16-11-4-2-1-3-9(10)11/h1-4,6,8,12,18H,5,7H2,(H,16,19)(H,21,22)/t8-,12-/m1/s1.
What are the key properties of (2R,4R)-4-hydroxy-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid?
(2R,4R)-4-hydroxy-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 302.29 g/mol, XLogP of 0.19, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-hydroxy-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 166179285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).