2,3-dimethyl-2-(quinolin-8-ylmethyl)butanoic acid

C16H19NO2 — CID 83149658

IUPAC2,3-dimethyl-2-(quinolin-8-ylmethyl)butanoic acid
SMILESCC(C)C(C)(Cc1cccc2cccnc12)C(=O)O
InChIInChI=1S/C16H19NO2/c1-11(2)16(3,15(18)19)10-13-7-4-6-12-8-5-9-17-14(12)13/h4-9,11H,10H2,1-3H3,(H,18,19)
InChIKeyFFRWKBRNHAWVIK-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.52
Rot. Bonds4

About 2,3-dimethyl-2-(quinolin-8-ylmethyl)butanoic acid

2,3-dimethyl-2-(quinolin-8-ylmethyl)butanoic acid (PubChem CID 83149658) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2,3-dimethyl-2-(quinolin-8-ylmethyl)butanoic acid.

Molecular Properties

Compound Name2,3-dimethyl-2-(quinolin-8-ylmethyl)butanoic acid
PubChem CID83149658
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2,3-dimethyl-2-(quinolin-8-ylmethyl)butanoic acid
SMILESCC(C)C(C)(Cc1cccc2cccnc12)C(=O)O
InChIInChI=1S/C16H19NO2/c1-11(2)16(3,15(18)19)10-13-7-4-6-12-8-5-9-17-14(12)13/h4-9,11H,10H2,1-3H3,(H,18,19)
InChIKeyFFRWKBRNHAWVIK-UHFFFAOYSA-N
XLogP3.52
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-quinolin-8-ylpropanoic acid
CID 103666134
2-(quinolin-8-ylmethylsulfinyl)propanoic acid
CID 54883641
2-(quinolin-8-ylmethylamino)propanoic acid
CID 43467362
2-amino-N-(quinolin-8-ylmethyl)propanamide
CID 81427001
2-ethyl-2,3-dimethyl-N-quinolin-8-ylbutanamide
CID 132522019
2,2-dimethyl-3-(2-quinolin-8-ylethylamino)propanoic acid
CID 81426656
tert-butyl N-[2-(quinolin-8-ylmethylamino)propyl]carbamate
CID 103390582
2-bromo-3-methyl-N-(quinolin-8-ylmethyl)butanamide
CID 81428744
3-methyl-2-(quinolin-8-ylmethylamino)butanoic acid
CID 43468279
tert-butyl 2-(aminomethyl)-3-quinolin-8-ylpropanoate
CID 103522381
2-methyl-2-(quinolin-8-ylmethylamino)pentanoic acid
CID 43619541
bis(N-methyl-1-quinolin-8-ylmethanamine);oxalic acid
CID 121229149

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-(quinolin-8-ylmethyl)butanoic acid?
The IUPAC name of 2,3-dimethyl-2-(quinolin-8-ylmethyl)butanoic acid (CID 83149658) is 2,3-dimethyl-2-(quinolin-8-ylmethyl)butanoic acid.
What is the SMILES notation for 2,3-dimethyl-2-(quinolin-8-ylmethyl)butanoic acid?
The canonical SMILES for 2,3-dimethyl-2-(quinolin-8-ylmethyl)butanoic acid is CC(C)C(C)(Cc1cccc2cccnc12)C(=O)O.
What is the InChIKey of 2,3-dimethyl-2-(quinolin-8-ylmethyl)butanoic acid?
The InChIKey is FFRWKBRNHAWVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-11(2)16(3,15(18)19)10-13-7-4-6-12-8-5-9-17-14(12)13/h4-9,11H,10H2,1-3H3,(H,18,19).
What are the key properties of 2,3-dimethyl-2-(quinolin-8-ylmethyl)butanoic acid?
2,3-dimethyl-2-(quinolin-8-ylmethyl)butanoic acid has a molecular weight of 257.33 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-(quinolin-8-ylmethyl)butanoic acid is sourced from PubChem (CID 83149658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).