2-cyclopropyl-2-(ethylamino)-3-[methyl-(2-methylcyclohexyl)amino]propanoic acid

C16H30N2O2 — CID 63911949

IUPAC2-cyclopropyl-2-(ethylamino)-3-[methyl-(2-methylcyclohexyl)amino]propanoic acid
SMILESCCNC(CN(C)C1CCCCC1C)(C(=O)O)C1CC1
InChIInChI=1S/C16H30N2O2/c1-4-17-16(15(19)20,13-9-10-13)11-18(3)14-8-6-5-7-12(14)2/h12-14,17H,4-11H2,1-3H3,(H,19,20)
InChIKeyZCGCEEULZRWWHM-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.34
Rot. Bonds7

About 2-cyclopropyl-2-(ethylamino)-3-[methyl-(2-methylcyclohexyl)amino]propanoic acid

2-cyclopropyl-2-(ethylamino)-3-[methyl-(2-methylcyclohexyl)amino]propanoic acid (PubChem CID 63911949) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-cyclopropyl-2-(ethylamino)-3-[methyl-(2-methylcyclohexyl)amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(ethylamino)-3-[methyl-(2-methylcyclohexyl)amino]propanoic acid
PubChem CID63911949
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-cyclopropyl-2-(ethylamino)-3-[methyl-(2-methylcyclohexyl)amino]propanoic acid
SMILESCCNC(CN(C)C1CCCCC1C)(C(=O)O)C1CC1
InChIInChI=1S/C16H30N2O2/c1-4-17-16(15(19)20,13-9-10-13)11-18(3)14-8-6-5-7-12(14)2/h12-14,17H,4-11H2,1-3H3,(H,19,20)
InChIKeyZCGCEEULZRWWHM-UHFFFAOYSA-N
XLogP2.34
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-(cyclopropylamino)-3-[methyl-(2-methylcyclohexyl)amino]propanamide
CID 63909395
3-[cyclohexylmethyl(methyl)amino]-2-cyclopropyl-2-(ethylamino)propanoic acid
CID 63916273
2-cyclopropyl-3-[methyl-(2-methylcyclohexyl)amino]-2-(propylamino)propan-1-ol
CID 64827166
2-cyclopropyl-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)propanoic acid
CID 105416902
3,3-dimethyl-4-[methyl-(2-methylcyclohexyl)amino]butan-2-one
CID 66452296
2-cyclopropyl-2-(ethylamino)-3-[ethyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 63910540
2-cyclopropyl-2-(ethylamino)-3-(4-methoxy-N-methylanilino)propanoic acid
CID 63919243
2-cyclopropyl-2-(ethylamino)-3-[methyl-(3-methylcyclohexyl)amino]propanamide
CID 63908983
2-cyclopropyl-2-(ethylamino)-3-(N-ethyl-4-fluoroanilino)propanoic acid
CID 63927214
2-methyl-1-[methyl-(2-methylcyclohexyl)amino]butan-2-ol
CID 114495525
2-cyclopropyl-2-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]propanamide
CID 63916269
2-cyclopropyl-2-(methylamino)-3-[methyl-(2-methyloxolan-3-yl)amino]propanoic acid
CID 82743553

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-[methyl-(2-methylcyclohexyl)amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-[methyl-(2-methylcyclohexyl)amino]propanoic acid (CID 63911949) is 2-cyclopropyl-2-(ethylamino)-3-[methyl-(2-methylcyclohexyl)amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(ethylamino)-3-[methyl-(2-methylcyclohexyl)amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(ethylamino)-3-[methyl-(2-methylcyclohexyl)amino]propanoic acid is CCNC(CN(C)C1CCCCC1C)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(ethylamino)-3-[methyl-(2-methylcyclohexyl)amino]propanoic acid?
The InChIKey is ZCGCEEULZRWWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-4-17-16(15(19)20,13-9-10-13)11-18(3)14-8-6-5-7-12(14)2/h12-14,17H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 2-cyclopropyl-2-(ethylamino)-3-[methyl-(2-methylcyclohexyl)amino]propanoic acid?
2-cyclopropyl-2-(ethylamino)-3-[methyl-(2-methylcyclohexyl)amino]propanoic acid has a molecular weight of 282.43 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(ethylamino)-3-[methyl-(2-methylcyclohexyl)amino]propanoic acid is sourced from PubChem (CID 63911949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).