3-[(2,7-dimethylquinoline-3-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid

C20H24N2O4 — CID 124699136

IUPAC3-[(2,7-dimethylquinoline-3-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
SMILESCc1ccc2cc(C(=O)N(CCC(=O)O)C[C@H]3CCCO3)c(C)nc2c1
InChIInChI=1S/C20H24N2O4/c1-13-5-6-15-11-17(14(2)21-18(15)10-13)20(25)22(8-7-19(23)24)12-16-4-3-9-26-16/h5-6,10-11,16H,3-4,7-9,12H2,1-2H3,(H,23,24)/t16-/m1/s1
InChIKeyUFERAIMKVVJIHF-MRXNPFEDSA-N
MW356.42 g/mol
LogP2.95
Rot. Bonds6

About 3-[(2,7-dimethylquinoline-3-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid

3-[(2,7-dimethylquinoline-3-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid (PubChem CID 124699136) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 3-[(2,7-dimethylquinoline-3-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[(2,7-dimethylquinoline-3-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
PubChem CID124699136
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name3-[(2,7-dimethylquinoline-3-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
SMILESCc1ccc2cc(C(=O)N(CCC(=O)O)C[C@H]3CCCO3)c(C)nc2c1
InChIInChI=1S/C20H24N2O4/c1-13-5-6-15-11-17(14(2)21-18(15)10-13)20(25)22(8-7-19(23)24)12-16-4-3-9-26-16/h5-6,10-11,16H,3-4,7-9,12H2,1-2H3,(H,23,24)/t16-/m1/s1
InChIKeyUFERAIMKVVJIHF-MRXNPFEDSA-N
XLogP2.95
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(2,7-dimethylquinoline-3-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid with MolForge

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Related Compounds

3-[(7-fluoro-2-methylquinoline-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 119209718
3-[(2-methylbenzoyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 82324599
3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 124693343
3-[(2,5-dimethylfuran-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 4104784
3-[(6-methylpyridine-3-carbonyl)-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid
CID 124698719
3-[(3-methylthiophene-2-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 124697893
3-[(3,5-dimethoxy-4-methylbenzoyl)-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid
CID 125154089
3-[[2-methyl-4-(1,2,4-triazol-1-yl)benzoyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid
CID 125153935
3-[(3,4-dimethoxybenzoyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 119209792
3-[oxolan-2-ylmethyl(thieno[2,3-c]pyridine-4-carbonyl)amino]propanoic acid
CID 132971426
3-[(3-fluorobenzoyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 95540081
3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 119209719

Frequently Asked Questions

What is the IUPAC name of 3-[(2,7-dimethylquinoline-3-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid?
The IUPAC name of 3-[(2,7-dimethylquinoline-3-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid (CID 124699136) is 3-[(2,7-dimethylquinoline-3-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid.
What is the SMILES notation for 3-[(2,7-dimethylquinoline-3-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid?
The canonical SMILES for 3-[(2,7-dimethylquinoline-3-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid is Cc1ccc2cc(C(=O)N(CCC(=O)O)C[C@H]3CCCO3)c(C)nc2c1.
What is the InChIKey of 3-[(2,7-dimethylquinoline-3-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid?
The InChIKey is UFERAIMKVVJIHF-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-13-5-6-15-11-17(14(2)21-18(15)10-13)20(25)22(8-7-19(23)24)12-16-4-3-9-26-16/h5-6,10-11,16H,3-4,7-9,12H2,1-2H3,(H,23,24)/t16-/m1/s1.
What are the key properties of 3-[(2,7-dimethylquinoline-3-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid?
3-[(2,7-dimethylquinoline-3-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid has a molecular weight of 356.42 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,7-dimethylquinoline-3-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid is sourced from PubChem (CID 124699136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).