2,2-dimethyl-3-(2-quinolin-8-ylethylamino)propanoic acid

C16H20N2O2 — CID 81426656

IUPAC2,2-dimethyl-3-(2-quinolin-8-ylethylamino)propanoic acid
SMILESCC(C)(CNCCc1cccc2cccnc12)C(=O)O
InChIInChI=1S/C16H20N2O2/c1-16(2,15(19)20)11-17-10-8-13-6-3-5-12-7-4-9-18-14(12)13/h3-7,9,17H,8,10-11H2,1-2H3,(H,19,20)
InChIKeyVXAGGJNVMKQLTD-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.48
Rot. Bonds6

About 2,2-dimethyl-3-(2-quinolin-8-ylethylamino)propanoic acid

2,2-dimethyl-3-(2-quinolin-8-ylethylamino)propanoic acid (PubChem CID 81426656) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-quinolin-8-ylethylamino)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-quinolin-8-ylethylamino)propanoic acid
PubChem CID81426656
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2,2-dimethyl-3-(2-quinolin-8-ylethylamino)propanoic acid
SMILESCC(C)(CNCCc1cccc2cccnc12)C(=O)O
InChIInChI=1S/C16H20N2O2/c1-16(2,15(19)20)11-17-10-8-13-6-3-5-12-7-4-9-18-14(12)13/h3-7,9,17H,8,10-11H2,1-2H3,(H,19,20)
InChIKeyVXAGGJNVMKQLTD-UHFFFAOYSA-N
XLogP2.48
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-ethyl-4-(2-quinolin-8-ylethylamino)but-2-enoic acid
CID 103258780
3-chloro-2,2-dimethyl-N-(2-quinolin-8-ylethyl)propanamide
CID 81426799
(Z)-3-methyl-4-(2-quinolin-8-ylethylamino)but-2-enoic acid
CID 103258778
1-(2-quinolin-8-ylethylamino)propan-2-ol
CID 81428765
methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084
N-methyl-2-quinolin-8-ylethanamine
CID 62549686
2-[(2-quinolin-8-ylethylamino)methyl]phenol
CID 78916472
N-ethyl-N-methyl-2-(2-quinolin-8-ylethylamino)acetamide
CID 81427020
3-methoxy-2-(2-quinolin-8-ylethylamino)propanoic acid
CID 103258774
(2R)-2-amino-N-(2-quinolin-8-ylethyl)propanamide
CID 78983595
(E)-N-(2-quinolin-8-ylethyl)but-2-enamide
CID 112723855
tert-butyl 3-(quinolin-8-ylmethylamino)propanoate
CID 103700021

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-quinolin-8-ylethylamino)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(2-quinolin-8-ylethylamino)propanoic acid (CID 81426656) is 2,2-dimethyl-3-(2-quinolin-8-ylethylamino)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(2-quinolin-8-ylethylamino)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(2-quinolin-8-ylethylamino)propanoic acid is CC(C)(CNCCc1cccc2cccnc12)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-(2-quinolin-8-ylethylamino)propanoic acid?
The InChIKey is VXAGGJNVMKQLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-16(2,15(19)20)11-17-10-8-13-6-3-5-12-7-4-9-18-14(12)13/h3-7,9,17H,8,10-11H2,1-2H3,(H,19,20).
What are the key properties of 2,2-dimethyl-3-(2-quinolin-8-ylethylamino)propanoic acid?
2,2-dimethyl-3-(2-quinolin-8-ylethylamino)propanoic acid has a molecular weight of 272.35 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-quinolin-8-ylethylamino)propanoic acid is sourced from PubChem (CID 81426656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).