2,2-dimethyl-3-(2-oxo-1H-quinolin-3-yl)propanoic acid

C14H15NO3 — CID 84631810

IUPAC2,2-dimethyl-3-(2-oxo-1H-quinolin-3-yl)propanoic acid
SMILESCC(C)(Cc1cc2ccccc2[nH]c1=O)C(=O)O
InChIInChI=1S/C14H15NO3/c1-14(2,13(17)18)8-10-7-9-5-3-4-6-11(9)15-12(10)16/h3-7H,8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyURRRTKQYZCBCRA-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.18
Rot. Bonds3

About 2,2-dimethyl-3-(2-oxo-1H-quinolin-3-yl)propanoic acid

2,2-dimethyl-3-(2-oxo-1H-quinolin-3-yl)propanoic acid (PubChem CID 84631810) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-oxo-1H-quinolin-3-yl)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-oxo-1H-quinolin-3-yl)propanoic acid
PubChem CID84631810
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name2,2-dimethyl-3-(2-oxo-1H-quinolin-3-yl)propanoic acid
SMILESCC(C)(Cc1cc2ccccc2[nH]c1=O)C(=O)O
InChIInChI=1S/C14H15NO3/c1-14(2,13(17)18)8-10-7-9-5-3-4-6-11(9)15-12(10)16/h3-7H,8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyURRRTKQYZCBCRA-UHFFFAOYSA-N
XLogP2.18
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid
CID 84637709
3-(8-bromo-2-oxo-1H-quinolin-3-yl)-2,2-dimethylpropanoic acid
CID 84646116
3-[[(2-hydroxy-2-phenylpropyl)amino]methyl]-1H-quinolin-2-one
CID 111434717
N-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 942796
(2S)-4-methyl-2-[(2-oxo-1H-quinolin-3-yl)methylamino]pentanoic acid
CID 120510789
(2-oxo-1H-quinolin-3-yl)methyl 4-tert-butylbenzoate
CID 946725
tert-butyl N-[2-[[2-(2-oxo-1H-quinolin-3-yl)acetyl]amino]ethyl]carbamate
CID 71936523
3-[(2-methylbut-3-yn-2-ylamino)methyl]-1H-quinolin-2-one
CID 63999144
3-(1H-indole-2-carbonylamino)-2,2-dimethylpropanoic acid
CID 81370075
3-hydroxy-1H-quinolin-2-one
CID 162237175
3-hydroxy-1H-quinolin-2-one
CID 818159
methyl 3-[(2-oxo-1H-quinolin-3-yl)methylamino]benzoate
CID 75403102

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-oxo-1H-quinolin-3-yl)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(2-oxo-1H-quinolin-3-yl)propanoic acid (CID 84631810) is 2,2-dimethyl-3-(2-oxo-1H-quinolin-3-yl)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(2-oxo-1H-quinolin-3-yl)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(2-oxo-1H-quinolin-3-yl)propanoic acid is CC(C)(Cc1cc2ccccc2[nH]c1=O)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-(2-oxo-1H-quinolin-3-yl)propanoic acid?
The InChIKey is URRRTKQYZCBCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-14(2,13(17)18)8-10-7-9-5-3-4-6-11(9)15-12(10)16/h3-7H,8H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2,2-dimethyl-3-(2-oxo-1H-quinolin-3-yl)propanoic acid?
2,2-dimethyl-3-(2-oxo-1H-quinolin-3-yl)propanoic acid has a molecular weight of 245.28 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-oxo-1H-quinolin-3-yl)propanoic acid is sourced from PubChem (CID 84631810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).