2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-propan-2-ylamino]acetic acid

C16H22N2O3 — CID 61186285

IUPAC2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-propan-2-ylamino]acetic acid
SMILESCc1ccc2c(c1)CCCN2C(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C16H22N2O3/c1-11(2)18(10-15(19)20)16(21)17-8-4-5-13-9-12(3)6-7-14(13)17/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,19,20)
InChIKeyYQVQXCGBRBTGLI-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.66
Rot. Bonds3

About 2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-propan-2-ylamino]acetic acid

2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-propan-2-ylamino]acetic acid (PubChem CID 61186285) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-propan-2-ylamino]acetic acid
PubChem CID61186285
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-propan-2-ylamino]acetic acid
SMILESCc1ccc2c(c1)CCCN2C(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C16H22N2O3/c1-11(2)18(10-15(19)20)16(21)17-8-4-5-13-9-12(3)6-7-14(13)17/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,19,20)
InChIKeyYQVQXCGBRBTGLI-UHFFFAOYSA-N
XLogP2.66
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-5-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
CID 62964343
2-methyl-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 43538734
2-ethyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 112762126
(2S)-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]propanoic acid
CID 78967798
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
2-(methylamino)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 62638376
2-amino-4-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 24702474
(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
N-benzyl-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108990709
2-methyl-2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)amino]butanoic acid
CID 79791498

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-propan-2-ylamino]acetic acid (CID 61186285) is 2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-propan-2-ylamino]acetic acid is Cc1ccc2c(c1)CCCN2C(=O)N(CC(=O)O)C(C)C.
What is the InChIKey of 2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-propan-2-ylamino]acetic acid?
The InChIKey is YQVQXCGBRBTGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(2)18(10-15(19)20)16(21)17-8-4-5-13-9-12(3)6-7-14(13)17/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,19,20).
What are the key properties of 2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-propan-2-ylamino]acetic acid?
2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-propan-2-ylamino]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 61186285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).