(2S)-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]propanoic acid

C14H18N2O3 — CID 78967798

IUPAC(2S)-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]propanoic acid
SMILESCc1ccc2c(c1)CCCN2C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C14H18N2O3/c1-9-5-6-12-11(8-9)4-3-7-16(12)14(19)15-10(2)13(17)18/h5-6,8,10H,3-4,7H2,1-2H3,(H,15,19)(H,17,18)/t10-/m0/s1
InChIKeyXKCYEBXBEXBFMY-JTQLQIEISA-N
MW262.31 g/mol
LogP1.93
Rot. Bonds2

About (2S)-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]propanoic acid

(2S)-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]propanoic acid (PubChem CID 78967798) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is (2S)-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]propanoic acid
PubChem CID78967798
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name(2S)-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]propanoic acid
SMILESCc1ccc2c(c1)CCCN2C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C14H18N2O3/c1-9-5-6-12-11(8-9)4-3-7-16(12)14(19)15-10(2)13(17)18/h5-6,8,10H,3-4,7H2,1-2H3,(H,15,19)(H,17,18)/t10-/m0/s1
InChIKeyXKCYEBXBEXBFMY-JTQLQIEISA-N
XLogP1.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]propanoic acid with MolForge

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Related Compounds

2-(methylamino)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 62638376
3-methyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
CID 62964343
2-methyl-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]butanoic acid
CID 79791498
6-chloro-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110747484
4-chloro-N-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]benzamide
CID 112762141
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyrrolidin-1-ylmethanone
CID 115578642
2-amino-2-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 61264398
2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-propan-2-ylamino]acetic acid
CID 61186285
2-ethyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 112762126
2-methyl-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 43538734
4-hydroxy-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 79204921
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylbutan-1-one
CID 112762073

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]propanoic acid (CID 78967798) is (2S)-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]propanoic acid is Cc1ccc2c(c1)CCCN2C(=O)N[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]propanoic acid?
The InChIKey is XKCYEBXBEXBFMY-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9-5-6-12-11(8-9)4-3-7-16(12)14(19)15-10(2)13(17)18/h5-6,8,10H,3-4,7H2,1-2H3,(H,15,19)(H,17,18)/t10-/m0/s1.
What are the key properties of (2S)-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]propanoic acid?
(2S)-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]propanoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 78967798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).