ethyl 2-cyclopropyl-3-propan-2-ylsulfanyl-2-(propylamino)propanoate

C14H27NO2S — CID 63921616

IUPACethyl 2-cyclopropyl-3-propan-2-ylsulfanyl-2-(propylamino)propanoate
SMILESCCCNC(CSC(C)C)(C(=O)OCC)C1CC1
InChIInChI=1S/C14H27NO2S/c1-5-9-15-14(12-7-8-12,10-18-11(3)4)13(16)17-6-2/h11-12,15H,5-10H2,1-4H3
InChIKeyFAEMTUGNXJXVAA-UHFFFAOYSA-N
MW273.44 g/mol
LogP2.84
Rot. Bonds9

About ethyl 2-cyclopropyl-3-propan-2-ylsulfanyl-2-(propylamino)propanoate

ethyl 2-cyclopropyl-3-propan-2-ylsulfanyl-2-(propylamino)propanoate (PubChem CID 63921616) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is ethyl 2-cyclopropyl-3-propan-2-ylsulfanyl-2-(propylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-cyclopropyl-3-propan-2-ylsulfanyl-2-(propylamino)propanoate
PubChem CID63921616
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC Nameethyl 2-cyclopropyl-3-propan-2-ylsulfanyl-2-(propylamino)propanoate
SMILESCCCNC(CSC(C)C)(C(=O)OCC)C1CC1
InChIInChI=1S/C14H27NO2S/c1-5-9-15-14(12-7-8-12,10-18-11(3)4)13(16)17-6-2/h11-12,15H,5-10H2,1-4H3
InChIKeyFAEMTUGNXJXVAA-UHFFFAOYSA-N
XLogP2.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-cyclopropyl-3-(3-methylbutan-2-ylsulfanyl)-2-(propylamino)propanoate
CID 107755679
2-cyclopropyl-3-propan-2-ylsulfanyl-2-(propylamino)propanamide
CID 63921417
ethyl 2-cyclopropyl-2-(propylamino)-3-thiophen-2-ylsulfanylpropanoate
CID 63915902
ethyl 2-cyclopropyl-3-[methyl(pentan-2-yl)amino]-2-(propylamino)propanoate
CID 63911314
3-butan-2-ylsulfanyl-2-cyclopropyl-2-(propylamino)propanamide
CID 63916489
ethyl 2-cyclopropyl-3-(2-methylbutan-2-yloxy)-2-(propylamino)propanoate
CID 63919160
3-butan-2-ylsulfanyl-2-cyclopropyl-2-(propylamino)propanoic acid
CID 63916296
ethyl 2-cyclopropyl-3-[2,2-dimethylpropyl(methyl)amino]-2-(propylamino)propanoate
CID 63911759
2-cyclopropyl-3-(3-hydroxybutan-2-ylsulfanyl)-2-(propylamino)propanoic acid
CID 107771845
ethyl 3-cyclohexylsulfanyl-2-cyclopropyl-2-(ethylamino)propanoate
CID 63920437
ethyl 2-cyclopropyl-3-(2-methylpropylsulfanyl)-2-(propan-2-ylamino)propanoate
CID 63916082
2-cyclopropyl-3-(2-methylpentoxy)-2-(propylamino)propanamide
CID 103285031

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropyl-3-propan-2-ylsulfanyl-2-(propylamino)propanoate?
The IUPAC name of ethyl 2-cyclopropyl-3-propan-2-ylsulfanyl-2-(propylamino)propanoate (CID 63921616) is ethyl 2-cyclopropyl-3-propan-2-ylsulfanyl-2-(propylamino)propanoate.
What is the SMILES notation for ethyl 2-cyclopropyl-3-propan-2-ylsulfanyl-2-(propylamino)propanoate?
The canonical SMILES for ethyl 2-cyclopropyl-3-propan-2-ylsulfanyl-2-(propylamino)propanoate is CCCNC(CSC(C)C)(C(=O)OCC)C1CC1.
What is the InChIKey of ethyl 2-cyclopropyl-3-propan-2-ylsulfanyl-2-(propylamino)propanoate?
The InChIKey is FAEMTUGNXJXVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2S/c1-5-9-15-14(12-7-8-12,10-18-11(3)4)13(16)17-6-2/h11-12,15H,5-10H2,1-4H3.
What are the key properties of ethyl 2-cyclopropyl-3-propan-2-ylsulfanyl-2-(propylamino)propanoate?
ethyl 2-cyclopropyl-3-propan-2-ylsulfanyl-2-(propylamino)propanoate has a molecular weight of 273.44 g/mol, XLogP of 2.84, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopropyl-3-propan-2-ylsulfanyl-2-(propylamino)propanoate is sourced from PubChem (CID 63921616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).