2,2,3-trimethyl-3-(quinolin-2-ylamino)butanoic acid

C16H20N2O2 — CID 65266135

IUPAC2,2,3-trimethyl-3-(quinolin-2-ylamino)butanoic acid
SMILESCC(C)(Nc1ccc2ccccc2n1)C(C)(C)C(=O)O
InChIInChI=1S/C16H20N2O2/c1-15(2,14(19)20)16(3,4)18-13-10-9-11-7-5-6-8-12(11)17-13/h5-10H,1-4H3,(H,17,18)(H,19,20)
InChIKeyKVZMTSPSYRBJDX-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.54
Rot. Bonds4

About 2,2,3-trimethyl-3-(quinolin-2-ylamino)butanoic acid

2,2,3-trimethyl-3-(quinolin-2-ylamino)butanoic acid (PubChem CID 65266135) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-(quinolin-2-ylamino)butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-(quinolin-2-ylamino)butanoic acid
PubChem CID65266135
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2,2,3-trimethyl-3-(quinolin-2-ylamino)butanoic acid
SMILESCC(C)(Nc1ccc2ccccc2n1)C(C)(C)C(=O)O
InChIInChI=1S/C16H20N2O2/c1-15(2,14(19)20)16(3,4)18-13-10-9-11-7-5-6-8-12(11)17-13/h5-10H,1-4H3,(H,17,18)(H,19,20)
InChIKeyKVZMTSPSYRBJDX-UHFFFAOYSA-N
XLogP3.54
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-5-oxo-5-(quinolin-2-ylamino)pentanoic acid
CID 2812549
2,2-dimethyl-3-(quinolin-2-ylamino)propanamide
CID 113224831
3-hydroxy-3-phenyl-N'-quinolin-2-ylbutanehydrazide
CID 110026460
(2E)-2-(quinolin-2-ylhydrazinylidene)propanoic acid
CID 10059695
2-[(quinolin-2-ylamino)methyl]pentanoic acid
CID 65224429
N-ethyl-2-(quinolin-2-ylamino)acetamide
CID 43398620
methyl 3-(quinolin-2-ylamino)propanoate
CID 60632060
N-(2-methyl-2-phenylpropyl)quinolin-2-amine
CID 63541485
N-(1-methoxy-2-methylpropan-2-yl)quinolin-2-amine
CID 113470456
3-[(quinolin-2-ylamino)methyl]pentanoic acid
CID 81067138
4,4-dimethyl-3-(quinolin-2-ylamino)pentan-1-ol
CID 106350849
methyl 3-hydroxy-2-(quinolin-2-ylamino)propanoate
CID 62006992

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-(quinolin-2-ylamino)butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-(quinolin-2-ylamino)butanoic acid (CID 65266135) is 2,2,3-trimethyl-3-(quinolin-2-ylamino)butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-(quinolin-2-ylamino)butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-(quinolin-2-ylamino)butanoic acid is CC(C)(Nc1ccc2ccccc2n1)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-3-(quinolin-2-ylamino)butanoic acid?
The InChIKey is KVZMTSPSYRBJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-15(2,14(19)20)16(3,4)18-13-10-9-11-7-5-6-8-12(11)17-13/h5-10H,1-4H3,(H,17,18)(H,19,20).
What are the key properties of 2,2,3-trimethyl-3-(quinolin-2-ylamino)butanoic acid?
2,2,3-trimethyl-3-(quinolin-2-ylamino)butanoic acid has a molecular weight of 272.35 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-(quinolin-2-ylamino)butanoic acid is sourced from PubChem (CID 65266135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).