2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylphenyl)sulfanylpropanoic acid

C17H25NO2S — CID 63917288

IUPAC2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylphenyl)sulfanylpropanoic acid
SMILESCCNC(CSc1ccc(C(C)C)cc1)(C(=O)O)C1CC1
InChIInChI=1S/C17H25NO2S/c1-4-18-17(16(19)20,14-7-8-14)11-21-15-9-5-13(6-10-15)12(2)3/h5-6,9-10,12,14,18H,4,7-8,11H2,1-3H3,(H,19,20)
InChIKeyYBZBHLDYUMNVIR-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.74
Rot. Bonds8

About 2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylphenyl)sulfanylpropanoic acid

2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylphenyl)sulfanylpropanoic acid (PubChem CID 63917288) has the molecular formula C17H25NO2S and a molecular weight of 307.46 g/mol. Its IUPAC name is 2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylphenyl)sulfanylpropanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylphenyl)sulfanylpropanoic acid
PubChem CID63917288
Molecular FormulaC17H25NO2S
Molecular Weight307.46 g/mol
Exact Mass307.16
IUPAC Name2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylphenyl)sulfanylpropanoic acid
SMILESCCNC(CSc1ccc(C(C)C)cc1)(C(=O)O)C1CC1
InChIInChI=1S/C17H25NO2S/c1-4-18-17(16(19)20,14-7-8-14)11-21-15-9-5-13(6-10-15)12(2)3/h5-6,9-10,12,14,18H,4,7-8,11H2,1-3H3,(H,19,20)
InChIKeyYBZBHLDYUMNVIR-UHFFFAOYSA-N
XLogP3.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylphenyl)sulfanylpropanoic 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-2-(ethylamino)-3-(4-propan-2-ylphenyl)sulfanylpropan-1-ol
CID 64806798
3-(4-bromophenyl)sulfanyl-2-cyclopropyl-2-(methylamino)propanoic acid
CID 63917649
2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylphenoxy)propanamide
CID 63921557
2-cyclopropyl-2-(ethylamino)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoic acid
CID 63919869
2-cyclopropyl-3-phenylsulfanyl-2-(propan-2-ylamino)propanamide
CID 63916309
2-cyclopropyl-2-(ethylamino)-3-(1-methylpyrazol-4-yl)sulfanylpropanamide
CID 63920250
2-cyclopropyl-2-(ethylamino)-3-(7H-purin-6-ylsulfanyl)propanoic acid
CID 63920054
ethyl 2-cyclopropyl-2-(ethylamino)-3-(3-methylphenyl)sulfanylpropanoate
CID 63921422
3-butan-2-ylsulfanyl-2-cyclopropyl-2-(propylamino)propanoic acid
CID 63916296
2-cyclopropyl-3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(methylamino)propanoic acid
CID 63918452
3-butan-2-yloxy-2-cyclopropyl-2-(ethylamino)propanoic acid
CID 63920407
2-cyclopropyl-3-(3-hydroxybutan-2-ylsulfanyl)-2-(propylamino)propanoic acid
CID 107771845

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylphenyl)sulfanylpropanoic acid?
The IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylphenyl)sulfanylpropanoic acid (CID 63917288) is 2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylphenyl)sulfanylpropanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylphenyl)sulfanylpropanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylphenyl)sulfanylpropanoic acid is CCNC(CSc1ccc(C(C)C)cc1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylphenyl)sulfanylpropanoic acid?
The InChIKey is YBZBHLDYUMNVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2S/c1-4-18-17(16(19)20,14-7-8-14)11-21-15-9-5-13(6-10-15)12(2)3/h5-6,9-10,12,14,18H,4,7-8,11H2,1-3H3,(H,19,20).
What are the key properties of 2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylphenyl)sulfanylpropanoic acid?
2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylphenyl)sulfanylpropanoic acid has a molecular weight of 307.46 g/mol, XLogP of 3.74, 8 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-(4-propan-2-ylphenyl)sulfanylpropanoic acid is sourced from PubChem (CID 63917288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).