2-[ethyl(quinolin-2-yl)amino]-2-methylpropanoic acid

C15H18N2O2 — CID 62818559

IUPAC2-[ethyl(quinolin-2-yl)amino]-2-methylpropanoic acid
SMILESCCN(c1ccc2ccccc2n1)C(C)(C)C(=O)O
InChIInChI=1S/C15H18N2O2/c1-4-17(15(2,3)14(18)19)13-10-9-11-7-5-6-8-12(11)16-13/h5-10H,4H2,1-3H3,(H,18,19)
InChIKeyVXMLEPIXRGZBIV-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.92
Rot. Bonds4

About 2-[ethyl(quinolin-2-yl)amino]-2-methylpropanoic acid

2-[ethyl(quinolin-2-yl)amino]-2-methylpropanoic acid (PubChem CID 62818559) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[ethyl(quinolin-2-yl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl(quinolin-2-yl)amino]-2-methylpropanoic acid
PubChem CID62818559
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-[ethyl(quinolin-2-yl)amino]-2-methylpropanoic acid
SMILESCCN(c1ccc2ccccc2n1)C(C)(C)C(=O)O
InChIInChI=1S/C15H18N2O2/c1-4-17(15(2,3)14(18)19)13-10-9-11-7-5-6-8-12(11)16-13/h5-10H,4H2,1-3H3,(H,18,19)
InChIKeyVXMLEPIXRGZBIV-UHFFFAOYSA-N
XLogP2.92
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1,2,4-benzotriazin-3-yl(ethyl)amino]-2-methylpropanoic acid
CID 103203753
N,N-dibutylquinolin-2-amine
CID 125488581
4-[methyl(quinolin-2-yl)amino]butanoic acid
CID 43329714
3-ethoxy-2-methyl-3-oxo-2-(quinolin-2-ylmethyl)propanoic acid
CID 103973764
2-[ethyl-(6-methoxy-2-methylpyrimidin-4-yl)amino]-2-methylpropanoic acid
CID 66331230
N-ethyl-N-methylquinoline-2-carboxamide
CID 19793658
3-[3-[ethyl(quinolin-2-yl)amino]phenyl]propanoic acid
CID 126842976
2-[1,3-benzothiazol-2-ylmethyl(ethyl)amino]-2-methylpropanoic acid
CID 62820956
N-(2-hydroxyethyl)-2-methyl-N-quinolin-2-ylbutanamide
CID 177171371
2-cyclopropyl-N-methyl-N-quinolin-2-ylacetamide
CID 155948887
N-phenyl-N-propan-2-ylquinolin-2-amine
CID 59282154
2,2,3-trimethyl-3-(quinolin-2-ylamino)butanoic acid
CID 65266135

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(quinolin-2-yl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl(quinolin-2-yl)amino]-2-methylpropanoic acid (CID 62818559) is 2-[ethyl(quinolin-2-yl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl(quinolin-2-yl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl(quinolin-2-yl)amino]-2-methylpropanoic acid is CCN(c1ccc2ccccc2n1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl(quinolin-2-yl)amino]-2-methylpropanoic acid?
The InChIKey is VXMLEPIXRGZBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-4-17(15(2,3)14(18)19)13-10-9-11-7-5-6-8-12(11)16-13/h5-10H,4H2,1-3H3,(H,18,19).
What are the key properties of 2-[ethyl(quinolin-2-yl)amino]-2-methylpropanoic acid?
2-[ethyl(quinolin-2-yl)amino]-2-methylpropanoic acid has a molecular weight of 258.32 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(quinolin-2-yl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62818559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).