2-methyl-2-(quinoline-6-carbonylamino)propanoic acid

C14H14N2O3 — CID 62849360

IUPAC2-methyl-2-(quinoline-6-carbonylamino)propanoic acid
SMILESCC(C)(NC(=O)c1ccc2ncccc2c1)C(=O)O
InChIInChI=1S/C14H14N2O3/c1-14(2,13(18)19)16-12(17)10-5-6-11-9(8-10)4-3-7-15-11/h3-8H,1-2H3,(H,16,17)(H,18,19)
InChIKeyZZQLMNFZIJWXEZ-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.83
Rot. Bonds3

About 2-methyl-2-(quinoline-6-carbonylamino)propanoic acid

2-methyl-2-(quinoline-6-carbonylamino)propanoic acid (PubChem CID 62849360) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-methyl-2-(quinoline-6-carbonylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(quinoline-6-carbonylamino)propanoic acid
PubChem CID62849360
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-methyl-2-(quinoline-6-carbonylamino)propanoic acid
SMILESCC(C)(NC(=O)c1ccc2ncccc2c1)C(=O)O
InChIInChI=1S/C14H14N2O3/c1-14(2,13(18)19)16-12(17)10-5-6-11-9(8-10)4-3-7-15-11/h3-8H,1-2H3,(H,16,17)(H,18,19)
InChIKeyZZQLMNFZIJWXEZ-UHFFFAOYSA-N
XLogP1.83
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)quinoline-6-carboxamide
CID 63194016
ethane;quinoline-6-carboxylic acid
CID 91364452
N-(1-amino-3-methylpentan-3-yl)quinoline-6-carboxamide
CID 106164388
tert-butyl N-(quinoline-6-carbonylamino)carbamate
CID 155213246
2-(quinoline-6-carbonylamino)butanoic acid
CID 62848486
2-methyl-3-(quinoline-6-carbonylamino)propanoic acid
CID 55126598
N-pyridin-4-ylquinoline-6-carboxamide
CID 53313330
1-(quinoline-6-carbonylamino)cyclobutane-1-carboxylic acid
CID 75355908
N-(4-hydroxy-2,2-dimethylpentyl)quinoline-6-carboxamide
CID 111480649
2-tert-butylsulfanyl-1-quinolin-6-ylethanone
CID 81219969
N-(2-chloroethyl)quinoline-6-carboxamide
CID 62874874
N-(2-phenylethyl)quinoline-6-carboxamide
CID 2823262

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(quinoline-6-carbonylamino)propanoic acid?
The IUPAC name of 2-methyl-2-(quinoline-6-carbonylamino)propanoic acid (CID 62849360) is 2-methyl-2-(quinoline-6-carbonylamino)propanoic acid.
What is the SMILES notation for 2-methyl-2-(quinoline-6-carbonylamino)propanoic acid?
The canonical SMILES for 2-methyl-2-(quinoline-6-carbonylamino)propanoic acid is CC(C)(NC(=O)c1ccc2ncccc2c1)C(=O)O.
What is the InChIKey of 2-methyl-2-(quinoline-6-carbonylamino)propanoic acid?
The InChIKey is ZZQLMNFZIJWXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-14(2,13(18)19)16-12(17)10-5-6-11-9(8-10)4-3-7-15-11/h3-8H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-methyl-2-(quinoline-6-carbonylamino)propanoic acid?
2-methyl-2-(quinoline-6-carbonylamino)propanoic acid has a molecular weight of 258.28 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(quinoline-6-carbonylamino)propanoic acid is sourced from PubChem (CID 62849360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).