ethyl 2-amino-2-methyl-4-propan-2-ylsulfanylpentanoate

C11H23NO2S — CID 64712073

IUPACethyl 2-amino-2-methyl-4-propan-2-ylsulfanylpentanoate
SMILESCCOC(=O)C(C)(N)CC(C)SC(C)C
InChIInChI=1S/C11H23NO2S/c1-6-14-10(13)11(5,12)7-9(4)15-8(2)3/h8-9H,6-7,12H2,1-5H3
InChIKeyNRSBCYXAMRBFMI-UHFFFAOYSA-N
MW233.38 g/mol
LogP2.19
Rot. Bonds6

About ethyl 2-amino-2-methyl-4-propan-2-ylsulfanylpentanoate

ethyl 2-amino-2-methyl-4-propan-2-ylsulfanylpentanoate (PubChem CID 64712073) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is ethyl 2-amino-2-methyl-4-propan-2-ylsulfanylpentanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-methyl-4-propan-2-ylsulfanylpentanoate
PubChem CID64712073
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Nameethyl 2-amino-2-methyl-4-propan-2-ylsulfanylpentanoate
SMILESCCOC(=O)C(C)(N)CC(C)SC(C)C
InChIInChI=1S/C11H23NO2S/c1-6-14-10(13)11(5,12)7-9(4)15-8(2)3/h8-9H,6-7,12H2,1-5H3
InChIKeyNRSBCYXAMRBFMI-UHFFFAOYSA-N
XLogP2.19
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-amino-2-methyl-4-propan-2-ylsulfanylpentanoate 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

ethyl 2-amino-2-methyl-4-propylsulfanylpentanoate
CID 64709276
ethyl 2-amino-2-methylbutanoate;hydrochloride
CID 175342051
ethyl 2-amino-2-methyl-4-thiophen-2-ylsulfanylpentanoate
CID 64712183
ethyl 2-amino-4-[(4-chlorophenyl)methylsulfanyl]-2-methylpentanoate
CID 114791838
ethyl 2-amino-4-butoxy-2-methylpentanoate
CID 64708941
ethyl 2-amino-4-(2,2-difluoroethoxy)-2-methylpentanoate
CID 82006587
ethyl (2S)-2-amino-2-methyl-3-sulfanylpropanoate
CID 45082477
ethyl 2-amino-2-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanoate
CID 112589158
ethyl (2S)-2-amino-5,5-dichloro-2-methylpentanoate;hydrochloride
CID 167527614
ethyl (2R,3R)-2-amino-3-hydroxy-2-methylbutanoate
CID 131230217
ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550
ethyl 2-amino-2-methyl-4-(3-methylbutylsulfanyl)butanoate
CID 107756311

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-methyl-4-propan-2-ylsulfanylpentanoate?
The IUPAC name of ethyl 2-amino-2-methyl-4-propan-2-ylsulfanylpentanoate (CID 64712073) is ethyl 2-amino-2-methyl-4-propan-2-ylsulfanylpentanoate.
What is the SMILES notation for ethyl 2-amino-2-methyl-4-propan-2-ylsulfanylpentanoate?
The canonical SMILES for ethyl 2-amino-2-methyl-4-propan-2-ylsulfanylpentanoate is CCOC(=O)C(C)(N)CC(C)SC(C)C.
What is the InChIKey of ethyl 2-amino-2-methyl-4-propan-2-ylsulfanylpentanoate?
The InChIKey is NRSBCYXAMRBFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-6-14-10(13)11(5,12)7-9(4)15-8(2)3/h8-9H,6-7,12H2,1-5H3.
What are the key properties of ethyl 2-amino-2-methyl-4-propan-2-ylsulfanylpentanoate?
ethyl 2-amino-2-methyl-4-propan-2-ylsulfanylpentanoate has a molecular weight of 233.38 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-methyl-4-propan-2-ylsulfanylpentanoate is sourced from PubChem (CID 64712073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).