2-cyclopropyl-3-(N-ethyl-2-methylanilino)-2-(methylamino)propanoic acid

C16H24N2O2 — CID 63907183

IUPAC2-cyclopropyl-3-(N-ethyl-2-methylanilino)-2-(methylamino)propanoic acid
SMILESCCN(CC(NC)(C(=O)O)C1CC1)c1ccccc1C
InChIInChI=1S/C16H24N2O2/c1-4-18(14-8-6-5-7-12(14)2)11-16(17-3,15(19)20)13-9-10-13/h5-8,13,17H,4,9-11H2,1-3H3,(H,19,20)
InChIKeyQTBMRSUMQPTKDT-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.27
Rot. Bonds7

About 2-cyclopropyl-3-(N-ethyl-2-methylanilino)-2-(methylamino)propanoic acid

2-cyclopropyl-3-(N-ethyl-2-methylanilino)-2-(methylamino)propanoic acid (PubChem CID 63907183) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-cyclopropyl-3-(N-ethyl-2-methylanilino)-2-(methylamino)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(N-ethyl-2-methylanilino)-2-(methylamino)propanoic acid
PubChem CID63907183
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-cyclopropyl-3-(N-ethyl-2-methylanilino)-2-(methylamino)propanoic acid
SMILESCCN(CC(NC)(C(=O)O)C1CC1)c1ccccc1C
InChIInChI=1S/C16H24N2O2/c1-4-18(14-8-6-5-7-12(14)2)11-16(17-3,15(19)20)13-9-10-13/h5-8,13,17H,4,9-11H2,1-3H3,(H,19,20)
InChIKeyQTBMRSUMQPTKDT-UHFFFAOYSA-N
XLogP2.27
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-3-(N-ethyl-2-methylanilino)-2-(methylamino)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-cyclopropyl-3-(N,2-dimethylanilino)-2-(methylamino)propanoic acid
CID 63919631
2-cyclopropyl-2-(ethylamino)-3-(N-ethyl-2-methylanilino)propanamide
CID 63906338
2-cyclopropyl-3-(N-ethyl-2-methylanilino)-2-(methylamino)propan-1-ol
CID 64790377
2-cyclopropyl-3-(N-ethyl-4-methylanilino)-2-(methylamino)propanamide
CID 63919628
2-ethyl-5-(N-ethyl-2-methylanilino)-2-(methylamino)pentanoic acid
CID 106805572
2-cyclopropyl-3-(N-ethyl-4-fluoroanilino)-2-(methylamino)propanamide
CID 63927629
2-cyclopropyl-2-(ethylamino)-3-(N-ethyl-4-fluoroanilino)propanoic acid
CID 63927214
3-[cyclohexyl(ethyl)amino]-2-cyclopropyl-2-(methylamino)propanoic acid
CID 63906996
methyl 2-cyclopropyl-3-(N-ethyl-3-fluoroanilino)-2-(methylamino)propanoate
CID 63909571
ethyl 2-cyclopropyl-3-(2-fluoro-N-methylanilino)-2-(methylamino)propanoate
CID 63924989
ethyl 2-cyclopropyl-2-(methylamino)-3-[(2-methylphenyl)methylsulfanyl]propanoate
CID 63920061
1-N-ethyl-3-N,2,2-trimethyl-1-N-(2-methylphenyl)butane-1,3-diamine
CID 66453180

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(N-ethyl-2-methylanilino)-2-(methylamino)propanoic acid?
The IUPAC name of 2-cyclopropyl-3-(N-ethyl-2-methylanilino)-2-(methylamino)propanoic acid (CID 63907183) is 2-cyclopropyl-3-(N-ethyl-2-methylanilino)-2-(methylamino)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-3-(N-ethyl-2-methylanilino)-2-(methylamino)propanoic acid?
The canonical SMILES for 2-cyclopropyl-3-(N-ethyl-2-methylanilino)-2-(methylamino)propanoic acid is CCN(CC(NC)(C(=O)O)C1CC1)c1ccccc1C.
What is the InChIKey of 2-cyclopropyl-3-(N-ethyl-2-methylanilino)-2-(methylamino)propanoic acid?
The InChIKey is QTBMRSUMQPTKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-18(14-8-6-5-7-12(14)2)11-16(17-3,15(19)20)13-9-10-13/h5-8,13,17H,4,9-11H2,1-3H3,(H,19,20).
What are the key properties of 2-cyclopropyl-3-(N-ethyl-2-methylanilino)-2-(methylamino)propanoic acid?
2-cyclopropyl-3-(N-ethyl-2-methylanilino)-2-(methylamino)propanoic acid has a molecular weight of 276.38 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(N-ethyl-2-methylanilino)-2-(methylamino)propanoic acid is sourced from PubChem (CID 63907183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).