2-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]propanoic acid

C12H17N3O2 — CID 83841949

IUPAC2-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]propanoic acid
SMILESCC(Nc1ccc2c(n1)CN(C)CC2)C(=O)O
InChIInChI=1S/C12H17N3O2/c1-8(12(16)17)13-11-4-3-9-5-6-15(2)7-10(9)14-11/h3-4,8H,5-7H2,1-2H3,(H,13,14)(H,16,17)
InChIKeyCGDKCJKSZRHHRP-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.95
Rot. Bonds3

About 2-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]propanoic acid

2-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]propanoic acid (PubChem CID 83841949) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]propanoic acid
PubChem CID83841949
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]propanoic acid
SMILESCC(Nc1ccc2c(n1)CN(C)CC2)C(=O)O
InChIInChI=1S/C12H17N3O2/c1-8(12(16)17)13-11-4-3-9-5-6-15(2)7-10(9)14-11/h3-4,8H,5-7H2,1-2H3,(H,13,14)(H,16,17)
InChIKeyCGDKCJKSZRHHRP-UHFFFAOYSA-N
XLogP0.95
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]propanoic acid with MolForge

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Related Compounds

N'-(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)ethane-1,2-diamine
CID 83833578
6-(1-carboxyethylamino)pyridine-3-carboxylic acid
CID 82357197
2-[(8-hydroxyquinolin-2-yl)amino]propanoic acid
CID 174996236
2-carbamoyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid
CID 117274635
(2S)-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]propanoic acid
CID 122049427
[5-[3-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
CID 164879613
2-ethyl-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid
CID 116532966
(2R)-2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]propanoic acid
CID 83194342
6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carboxylate
CID 163670046
2-[(5-amino-2-pyridinyl)amino]propanoic acid
CID 117044543
2-[[6-(cyclobutylamino)-2-methylpyrimidin-4-yl]amino]propanoic acid
CID 115266537
6-methyl-2-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid
CID 116533203

Frequently Asked Questions

What is the IUPAC name of 2-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]propanoic acid?
The IUPAC name of 2-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]propanoic acid (CID 83841949) is 2-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]propanoic acid.
What is the SMILES notation for 2-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]propanoic acid?
The canonical SMILES for 2-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]propanoic acid is CC(Nc1ccc2c(n1)CN(C)CC2)C(=O)O.
What is the InChIKey of 2-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]propanoic acid?
The InChIKey is CGDKCJKSZRHHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8(12(16)17)13-11-4-3-9-5-6-15(2)7-10(9)14-11/h3-4,8H,5-7H2,1-2H3,(H,13,14)(H,16,17).
What are the key properties of 2-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]propanoic acid?
2-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]propanoic acid has a molecular weight of 235.29 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-methyl-6,8-dihydro-5H-1,7-naphthyridin-2-yl)amino]propanoic acid is sourced from PubChem (CID 83841949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).