2,2-dimethyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid

C15H20N2O3 — CID 115427981

IUPAC2,2-dimethyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
SMILESCC(C)(CNC(=O)c1ccc2c(c1)CCCN2)C(=O)O
InChIInChI=1S/C15H20N2O3/c1-15(2,14(19)20)9-17-13(18)11-5-6-12-10(8-11)4-3-7-16-12/h5-6,8,16H,3-4,7,9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyQDMFCVBXROOEDU-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.89
Rot. Bonds4

About 2,2-dimethyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid

2,2-dimethyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid (PubChem CID 115427981) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2,2-dimethyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
PubChem CID115427981
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2,2-dimethyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
SMILESCC(C)(CNC(=O)c1ccc2c(c1)CCCN2)C(=O)O
InChIInChI=1S/C15H20N2O3/c1-15(2,14(19)20)9-17-13(18)11-5-6-12-10(8-11)4-3-7-16-12/h5-6,8,16H,3-4,7,9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyQDMFCVBXROOEDU-UHFFFAOYSA-N
XLogP1.89
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxy-2-methyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 66177881
N-(3-hydroxy-2,2-dimethylpropyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 115360312
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106247626
2-ethyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid
CID 79814554
N-[2-(dimethylamino)-2-methylpropyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 61247768
N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 65106509
N-(2-methoxy-2-methylpropyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 104761350
N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 60926593
N-[3-(methylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 55118334
1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride
CID 50988785
N-carbamoyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 79194659
N-(2-hydroxy-2,4-dimethylpentyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 66171666

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid (CID 115427981) is 2,2-dimethyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid is CC(C)(CNC(=O)c1ccc2c(c1)CCCN2)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid?
The InChIKey is QDMFCVBXROOEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(2,14(19)20)9-17-13(18)11-5-6-12-10(8-11)4-3-7-16-12/h5-6,8,16H,3-4,7,9H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2,2-dimethyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid?
2,2-dimethyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid has a molecular weight of 276.34 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid is sourced from PubChem (CID 115427981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).