2-cyclopropyl-2-(ethylamino)-3-(4-methoxy-N-methylanilino)propanoic acid

C16H24N2O3 — CID 63919243

IUPAC2-cyclopropyl-2-(ethylamino)-3-(4-methoxy-N-methylanilino)propanoic acid
SMILESCCNC(CN(C)c1ccc(OC)cc1)(C(=O)O)C1CC1
InChIInChI=1S/C16H24N2O3/c1-4-17-16(15(19)20,12-5-6-12)11-18(2)13-7-9-14(21-3)10-8-13/h7-10,12,17H,4-6,11H2,1-3H3,(H,19,20)
InChIKeyKIBITRWLLLHAMH-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.97
Rot. Bonds8

About 2-cyclopropyl-2-(ethylamino)-3-(4-methoxy-N-methylanilino)propanoic acid

2-cyclopropyl-2-(ethylamino)-3-(4-methoxy-N-methylanilino)propanoic acid (PubChem CID 63919243) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-cyclopropyl-2-(ethylamino)-3-(4-methoxy-N-methylanilino)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(ethylamino)-3-(4-methoxy-N-methylanilino)propanoic acid
PubChem CID63919243
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-cyclopropyl-2-(ethylamino)-3-(4-methoxy-N-methylanilino)propanoic acid
SMILESCCNC(CN(C)c1ccc(OC)cc1)(C(=O)O)C1CC1
InChIInChI=1S/C16H24N2O3/c1-4-17-16(15(19)20,12-5-6-12)11-18(2)13-7-9-14(21-3)10-8-13/h7-10,12,17H,4-6,11H2,1-3H3,(H,19,20)
InChIKeyKIBITRWLLLHAMH-UHFFFAOYSA-N
XLogP1.97
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

methyl 2-cyclopropyl-2-(ethylamino)-3-(N-methylanilino)propanoate
CID 63906606
2-cyclopropyl-3-(N,4-dimethylanilino)-2-(propylamino)propanoic acid
CID 63927007
2-cyclopropyl-2-(4-methoxyanilino)butanoic acid
CID 64917422
2-cyclopropyl-2-(ethylamino)-3-(N-ethyl-4-fluoroanilino)propanoic acid
CID 63927214
2-cyclopropyl-2-(ethylamino)-3-(3-methoxyphenyl)sulfanylpropanoic acid
CID 63917106
3-[cyclohexylmethyl(methyl)amino]-2-cyclopropyl-2-(ethylamino)propanoic acid
CID 63916273
methyl 2-cyclopropyl-3-(dimethylamino)-2-(ethylamino)propanoate
CID 63906010
4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257725
4-[(4-methoxyphenyl)methyl-methylamino]benzoic acid
CID 39369991
4-(4-methoxy-N-methylanilino)-2-methylbutanoic acid
CID 115220604
2-cyclopropyl-3-[1-methoxypropan-2-yl(methyl)amino]-2-(propylamino)propanoic acid
CID 63910353
2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylphenyl)sulfanylpropanoic acid
CID 63917288

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-(4-methoxy-N-methylanilino)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-(4-methoxy-N-methylanilino)propanoic acid (CID 63919243) is 2-cyclopropyl-2-(ethylamino)-3-(4-methoxy-N-methylanilino)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(ethylamino)-3-(4-methoxy-N-methylanilino)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(ethylamino)-3-(4-methoxy-N-methylanilino)propanoic acid is CCNC(CN(C)c1ccc(OC)cc1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(ethylamino)-3-(4-methoxy-N-methylanilino)propanoic acid?
The InChIKey is KIBITRWLLLHAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-17-16(15(19)20,12-5-6-12)11-18(2)13-7-9-14(21-3)10-8-13/h7-10,12,17H,4-6,11H2,1-3H3,(H,19,20).
What are the key properties of 2-cyclopropyl-2-(ethylamino)-3-(4-methoxy-N-methylanilino)propanoic acid?
2-cyclopropyl-2-(ethylamino)-3-(4-methoxy-N-methylanilino)propanoic acid has a molecular weight of 292.38 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(ethylamino)-3-(4-methoxy-N-methylanilino)propanoic acid is sourced from PubChem (CID 63919243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).