ethyl 2-amino-3-cyclohexylsulfanyl-2-cyclopropylpropanoate

C14H25NO2S — CID 63920634

IUPACethyl 2-amino-3-cyclohexylsulfanyl-2-cyclopropylpropanoate
SMILESCCOC(=O)C(N)(CSC1CCCCC1)C1CC1
InChIInChI=1S/C14H25NO2S/c1-2-17-13(16)14(15,11-8-9-11)10-18-12-6-4-3-5-7-12/h11-12H,2-10,15H2,1H3
InChIKeyJVTFXZDTVIBTMQ-UHFFFAOYSA-N
MW271.43 g/mol
LogP2.72
Rot. Bonds6

About ethyl 2-amino-3-cyclohexylsulfanyl-2-cyclopropylpropanoate

ethyl 2-amino-3-cyclohexylsulfanyl-2-cyclopropylpropanoate (PubChem CID 63920634) has the molecular formula C14H25NO2S and a molecular weight of 271.43 g/mol. Its IUPAC name is ethyl 2-amino-3-cyclohexylsulfanyl-2-cyclopropylpropanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-cyclohexylsulfanyl-2-cyclopropylpropanoate
PubChem CID63920634
Molecular FormulaC14H25NO2S
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC Nameethyl 2-amino-3-cyclohexylsulfanyl-2-cyclopropylpropanoate
SMILESCCOC(=O)C(N)(CSC1CCCCC1)C1CC1
InChIInChI=1S/C14H25NO2S/c1-2-17-13(16)14(15,11-8-9-11)10-18-12-6-4-3-5-7-12/h11-12H,2-10,15H2,1H3
InChIKeyJVTFXZDTVIBTMQ-UHFFFAOYSA-N
XLogP2.72
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-3-(cyclopentylmethylsulfanyl)-2-cyclopropylpropanoate
CID 63919480
2-amino-3-cyclopentylsulfanyl-2-cyclopropylpropanamide
CID 63920663
ethyl 3-cyclohexylsulfanyl-2-cyclopropyl-2-(ethylamino)propanoate
CID 63920437
ethyl 3-cyclohexylsulfanyl-2-cyclopropyl-2-(cyclopropylamino)propanoate
CID 63920831
ethyl 2-amino-3-(azepan-1-yl)-2-cyclopropylpropanoate
CID 63907466
ethyl 2-amino-3-[cyclohexyl(ethyl)amino]-2-cyclopropylpropanoate
CID 63908666
ethyl 2-amino-2-cyclopropyl-3-(oxolan-2-ylmethylsulfanyl)propanoate
CID 106495711
ethyl 4-cyclohexylsulfanyl-2,2-difluoro-3-oxobutanoate
CID 65144261
ethyl 2-amino-2-cyclopropyl-3-[ethyl(methyl)amino]propanoate
CID 63906608
ethyl 2-amino-2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]propanoate
CID 104565266
ethyl (2R)-2-cyclohexyl-2-hydroxypropanoate
CID 97047914
diethyl 2-cyclohexyl-2-methoxypropanedioate
CID 67553135

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-cyclohexylsulfanyl-2-cyclopropylpropanoate?
The IUPAC name of ethyl 2-amino-3-cyclohexylsulfanyl-2-cyclopropylpropanoate (CID 63920634) is ethyl 2-amino-3-cyclohexylsulfanyl-2-cyclopropylpropanoate.
What is the SMILES notation for ethyl 2-amino-3-cyclohexylsulfanyl-2-cyclopropylpropanoate?
The canonical SMILES for ethyl 2-amino-3-cyclohexylsulfanyl-2-cyclopropylpropanoate is CCOC(=O)C(N)(CSC1CCCCC1)C1CC1.
What is the InChIKey of ethyl 2-amino-3-cyclohexylsulfanyl-2-cyclopropylpropanoate?
The InChIKey is JVTFXZDTVIBTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2S/c1-2-17-13(16)14(15,11-8-9-11)10-18-12-6-4-3-5-7-12/h11-12H,2-10,15H2,1H3.
What are the key properties of ethyl 2-amino-3-cyclohexylsulfanyl-2-cyclopropylpropanoate?
ethyl 2-amino-3-cyclohexylsulfanyl-2-cyclopropylpropanoate has a molecular weight of 271.43 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-cyclohexylsulfanyl-2-cyclopropylpropanoate is sourced from PubChem (CID 63920634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).