(3R)-2-oxo-1-propan-2-yl-3,4-dihydroquinoline-3-carboxylic acid

C13H15NO3 — CID 98125729

IUPAC(3R)-2-oxo-1-propan-2-yl-3,4-dihydroquinoline-3-carboxylic acid
SMILESCC(C)N1C(=O)[C@H](C(=O)O)Cc2ccccc21
InChIInChI=1S/C13H15NO3/c1-8(2)14-11-6-4-3-5-9(11)7-10(12(14)15)13(16)17/h3-6,8,10H,7H2,1-2H3,(H,16,17)/t10-/m1/s1
InChIKeyYVMRTXAJSWGYTN-SNVBAGLBSA-N
MW233.27 g/mol
LogP1.68
Rot. Bonds2

About (3R)-2-oxo-1-propan-2-yl-3,4-dihydroquinoline-3-carboxylic acid

(3R)-2-oxo-1-propan-2-yl-3,4-dihydroquinoline-3-carboxylic acid (PubChem CID 98125729) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is (3R)-2-oxo-1-propan-2-yl-3,4-dihydroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-2-oxo-1-propan-2-yl-3,4-dihydroquinoline-3-carboxylic acid
PubChem CID98125729
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name(3R)-2-oxo-1-propan-2-yl-3,4-dihydroquinoline-3-carboxylic acid
SMILESCC(C)N1C(=O)[C@H](C(=O)O)Cc2ccccc21
InChIInChI=1S/C13H15NO3/c1-8(2)14-11-6-4-3-5-9(11)7-10(12(14)15)13(16)17/h3-6,8,10H,7H2,1-2H3,(H,16,17)/t10-/m1/s1
InChIKeyYVMRTXAJSWGYTN-SNVBAGLBSA-N
XLogP1.68
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propanoic acid
CID 8548710
1-propan-2-yl-3,4-dihydroquinazolin-2-one
CID 58860770
2-(1-methyl-2,3-dihydroindol-2-yl)propanoic acid
CID 83860831
1-benzoyl-3-methyl-5-propan-2-yl-2,3-dihydro-1,5-benzodiazepin-4-one
CID 19243606
1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 78967658
1-(2-bromopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 18457697
(2S)-1-(2-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 61160187
(2R)-1-propan-2-yloxycarbonyl-2,3-dihydroindole-2-carboxylic acid
CID 67873825
2-(3-oxo-4-propan-2-yl-1,4-benzoxazin-2-yl)acetic acid
CID 82025745
1-(2-hydroxypropyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902910
3-phenyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 82157135
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771

Frequently Asked Questions

What is the IUPAC name of (3R)-2-oxo-1-propan-2-yl-3,4-dihydroquinoline-3-carboxylic acid?
The IUPAC name of (3R)-2-oxo-1-propan-2-yl-3,4-dihydroquinoline-3-carboxylic acid (CID 98125729) is (3R)-2-oxo-1-propan-2-yl-3,4-dihydroquinoline-3-carboxylic acid.
What is the SMILES notation for (3R)-2-oxo-1-propan-2-yl-3,4-dihydroquinoline-3-carboxylic acid?
The canonical SMILES for (3R)-2-oxo-1-propan-2-yl-3,4-dihydroquinoline-3-carboxylic acid is CC(C)N1C(=O)[C@H](C(=O)O)Cc2ccccc21.
What is the InChIKey of (3R)-2-oxo-1-propan-2-yl-3,4-dihydroquinoline-3-carboxylic acid?
The InChIKey is YVMRTXAJSWGYTN-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15NO3/c1-8(2)14-11-6-4-3-5-9(11)7-10(12(14)15)13(16)17/h3-6,8,10H,7H2,1-2H3,(H,16,17)/t10-/m1/s1.
What are the key properties of (3R)-2-oxo-1-propan-2-yl-3,4-dihydroquinoline-3-carboxylic acid?
(3R)-2-oxo-1-propan-2-yl-3,4-dihydroquinoline-3-carboxylic acid has a molecular weight of 233.27 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-oxo-1-propan-2-yl-3,4-dihydroquinoline-3-carboxylic acid is sourced from PubChem (CID 98125729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).