(3R,4S)-4-hydroxy-1-(1-methyl-2-oxoquinoline-3-carbonyl)piperidine-3-carboxylic acid

C17H18N2O5 — CID 165422453

IUPAC(3R,4S)-4-hydroxy-1-(1-methyl-2-oxoquinoline-3-carbonyl)piperidine-3-carboxylic acid
SMILESCn1c(=O)c(C(=O)N2CC[C@H](O)[C@H](C(=O)O)C2)cc2ccccc21
InChIInChI=1S/C17H18N2O5/c1-18-13-5-3-2-4-10(13)8-11(15(18)21)16(22)19-7-6-14(20)12(9-19)17(23)24/h2-5,8,12,14,20H,6-7,9H2,1H3,(H,23,24)/t12-,14+/m1/s1
InChIKeyAVLUVJHRPQANRI-OCCSQVGLSA-N
MW330.34 g/mol
LogP0.45
Rot. Bonds2

About (3R,4S)-4-hydroxy-1-(1-methyl-2-oxoquinoline-3-carbonyl)piperidine-3-carboxylic acid

(3R,4S)-4-hydroxy-1-(1-methyl-2-oxoquinoline-3-carbonyl)piperidine-3-carboxylic acid (PubChem CID 165422453) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is (3R,4S)-4-hydroxy-1-(1-methyl-2-oxoquinoline-3-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4S)-4-hydroxy-1-(1-methyl-2-oxoquinoline-3-carbonyl)piperidine-3-carboxylic acid
PubChem CID165422453
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name(3R,4S)-4-hydroxy-1-(1-methyl-2-oxoquinoline-3-carbonyl)piperidine-3-carboxylic acid
SMILESCn1c(=O)c(C(=O)N2CC[C@H](O)[C@H](C(=O)O)C2)cc2ccccc21
InChIInChI=1S/C17H18N2O5/c1-18-13-5-3-2-4-10(13)8-11(15(18)21)16(22)19-7-6-14(20)12(9-19)17(23)24/h2-5,8,12,14,20H,6-7,9H2,1H3,(H,23,24)/t12-,14+/m1/s1
InChIKeyAVLUVJHRPQANRI-OCCSQVGLSA-N
XLogP0.45
TPSA99.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-hydroxy-1-(1-methyl-2-oxoquinoline-3-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R,4S)-4-hydroxy-1-(1-methyl-2-oxoquinoline-3-carbonyl)piperidine-3-carboxylic acid (CID 165422453) is (3R,4S)-4-hydroxy-1-(1-methyl-2-oxoquinoline-3-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R,4S)-4-hydroxy-1-(1-methyl-2-oxoquinoline-3-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R,4S)-4-hydroxy-1-(1-methyl-2-oxoquinoline-3-carbonyl)piperidine-3-carboxylic acid is Cn1c(=O)c(C(=O)N2CC[C@H](O)[C@H](C(=O)O)C2)cc2ccccc21.
What is the InChIKey of (3R,4S)-4-hydroxy-1-(1-methyl-2-oxoquinoline-3-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is AVLUVJHRPQANRI-OCCSQVGLSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-18-13-5-3-2-4-10(13)8-11(15(18)21)16(22)19-7-6-14(20)12(9-19)17(23)24/h2-5,8,12,14,20H,6-7,9H2,1H3,(H,23,24)/t12-,14+/m1/s1.
What are the key properties of (3R,4S)-4-hydroxy-1-(1-methyl-2-oxoquinoline-3-carbonyl)piperidine-3-carboxylic acid?
(3R,4S)-4-hydroxy-1-(1-methyl-2-oxoquinoline-3-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 330.34 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-hydroxy-1-(1-methyl-2-oxoquinoline-3-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 165422453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).