3-amino-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid

C13H18N2O2 — CID 64692920

IUPAC3-amino-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid
SMILESCc1ccc2c(c1)CCCN2C(CN)C(=O)O
InChIInChI=1S/C13H18N2O2/c1-9-4-5-11-10(7-9)3-2-6-15(11)12(8-14)13(16)17/h4-5,7,12H,2-3,6,8,14H2,1H3,(H,16,17)
InChIKeyWNYLPXRVBRGLKT-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.16
Rot. Bonds3

About 3-amino-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid

3-amino-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid (PubChem CID 64692920) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-amino-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-amino-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid
PubChem CID64692920
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-amino-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid
SMILESCc1ccc2c(c1)CCCN2C(CN)C(=O)O
InChIInChI=1S/C13H18N2O2/c1-9-4-5-11-10(7-9)3-2-6-15(11)12(8-14)13(16)17/h4-5,7,12H,2-3,6,8,14H2,1H3,(H,16,17)
InChIKeyWNYLPXRVBRGLKT-UHFFFAOYSA-N
XLogP1.16
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid
CID 43808966
ethyl 2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoate
CID 64661866
2-methyl-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 43538734
1-amino-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
CID 24698210
3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanethioamide
CID 54945043
3-amino-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid
CID 60989148
(2S)-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]propanoic acid
CID 78967798
N'-hydroxy-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butanimidamide
CID 54945506
(2S)-N-(4-acetamidophenyl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 8593571
2-amino-2-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 61264398
2-ethyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 112762126
3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 60698848

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid?
The IUPAC name of 3-amino-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid (CID 64692920) is 3-amino-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid.
What is the SMILES notation for 3-amino-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid?
The canonical SMILES for 3-amino-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid is Cc1ccc2c(c1)CCCN2C(CN)C(=O)O.
What is the InChIKey of 3-amino-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid?
The InChIKey is WNYLPXRVBRGLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-4-5-11-10(7-9)3-2-6-15(11)12(8-14)13(16)17/h4-5,7,12H,2-3,6,8,14H2,1H3,(H,16,17).
What are the key properties of 3-amino-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid?
3-amino-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid has a molecular weight of 234.30 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid is sourced from PubChem (CID 64692920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).