3,3-dimethyl-5-oxo-5-(quinolin-2-ylamino)pentanoic acid

C16H18N2O3 — CID 2812549

IUPAC3,3-dimethyl-5-oxo-5-(quinolin-2-ylamino)pentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)Nc1ccc2ccccc2n1
InChIInChI=1S/C16H18N2O3/c1-16(2,10-15(20)21)9-14(19)18-13-8-7-11-5-3-4-6-12(11)17-13/h3-8H,9-10H2,1-2H3,(H,20,21)(H,17,18,19)
InChIKeyRKDAAIJYJPIDRV-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.06
Rot. Bonds5

About 3,3-dimethyl-5-oxo-5-(quinolin-2-ylamino)pentanoic acid

3,3-dimethyl-5-oxo-5-(quinolin-2-ylamino)pentanoic acid (PubChem CID 2812549) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3,3-dimethyl-5-oxo-5-(quinolin-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-5-oxo-5-(quinolin-2-ylamino)pentanoic acid
PubChem CID2812549
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name3,3-dimethyl-5-oxo-5-(quinolin-2-ylamino)pentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)Nc1ccc2ccccc2n1
InChIInChI=1S/C16H18N2O3/c1-16(2,10-15(20)21)9-14(19)18-13-8-7-11-5-3-4-6-12(11)17-13/h3-8H,9-10H2,1-2H3,(H,20,21)(H,17,18,19)
InChIKeyRKDAAIJYJPIDRV-UHFFFAOYSA-N
XLogP3.06
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-quinolin-2-ylacetamide
CID 54505370
3-hydroxy-3-phenyl-N'-quinolin-2-ylbutanehydrazide
CID 110026460
2,2,3-trimethyl-3-(quinolin-2-ylamino)butanoic acid
CID 65266135
N-ethyl-2-(quinolin-2-ylamino)acetamide
CID 43398620
2-(2-fluorophenyl)-N-quinolin-2-ylacetamide
CID 51193537
2,2-dimethyl-3-(quinolin-2-ylamino)propanamide
CID 113224831
1-tert-butyl-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375557
3,3-dimethyl-5-oxo-5-[2-(trifluoromethyl)anilino]pentanoic acid
CID 60699495
3-(2-hydroxyphenyl)-N-quinolin-2-ylpropanamide
CID 46654912
3-[(quinolin-2-ylamino)methyl]pentanoic acid
CID 81067138
3,3-dimethyl-5-oxo-5-(2-propylanilino)pentanoic acid
CID 62935245
(Z)-N-quinolin-2-yloctadec-9-enamide
CID 145189390

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-oxo-5-(quinolin-2-ylamino)pentanoic acid?
The IUPAC name of 3,3-dimethyl-5-oxo-5-(quinolin-2-ylamino)pentanoic acid (CID 2812549) is 3,3-dimethyl-5-oxo-5-(quinolin-2-ylamino)pentanoic acid.
What is the SMILES notation for 3,3-dimethyl-5-oxo-5-(quinolin-2-ylamino)pentanoic acid?
The canonical SMILES for 3,3-dimethyl-5-oxo-5-(quinolin-2-ylamino)pentanoic acid is CC(C)(CC(=O)O)CC(=O)Nc1ccc2ccccc2n1.
What is the InChIKey of 3,3-dimethyl-5-oxo-5-(quinolin-2-ylamino)pentanoic acid?
The InChIKey is RKDAAIJYJPIDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-16(2,10-15(20)21)9-14(19)18-13-8-7-11-5-3-4-6-12(11)17-13/h3-8H,9-10H2,1-2H3,(H,20,21)(H,17,18,19).
What are the key properties of 3,3-dimethyl-5-oxo-5-(quinolin-2-ylamino)pentanoic acid?
3,3-dimethyl-5-oxo-5-(quinolin-2-ylamino)pentanoic acid has a molecular weight of 286.33 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-oxo-5-(quinolin-2-ylamino)pentanoic acid is sourced from PubChem (CID 2812549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).