methyl 2-amino-3-(cyclopentylmethylsulfanyl)-2-cyclopropylpropanoate

C13H23NO2S — CID 63918896

IUPACmethyl 2-amino-3-(cyclopentylmethylsulfanyl)-2-cyclopropylpropanoate
SMILESCOC(=O)C(N)(CSCC1CCCC1)C1CC1
InChIInChI=1S/C13H23NO2S/c1-16-12(15)13(14,11-6-7-11)9-17-8-10-4-2-3-5-10/h10-11H,2-9,14H2,1H3
InChIKeyUEHXKCOIIAHXKS-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.19
Rot. Bonds6

About methyl 2-amino-3-(cyclopentylmethylsulfanyl)-2-cyclopropylpropanoate

methyl 2-amino-3-(cyclopentylmethylsulfanyl)-2-cyclopropylpropanoate (PubChem CID 63918896) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is methyl 2-amino-3-(cyclopentylmethylsulfanyl)-2-cyclopropylpropanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(cyclopentylmethylsulfanyl)-2-cyclopropylpropanoate
PubChem CID63918896
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC Namemethyl 2-amino-3-(cyclopentylmethylsulfanyl)-2-cyclopropylpropanoate
SMILESCOC(=O)C(N)(CSCC1CCCC1)C1CC1
InChIInChI=1S/C13H23NO2S/c1-16-12(15)13(14,11-6-7-11)9-17-8-10-4-2-3-5-10/h10-11H,2-9,14H2,1H3
InChIKeyUEHXKCOIIAHXKS-UHFFFAOYSA-N
XLogP2.19
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Amino 2-amino-2-cyclopropyl-4-methylsulfanylbutanoate
CID 145729997
methyl (2S)-2-amino-2-methyl-5-methylsulfanylpentanoate
CID 11819881
Methyl 2-amino-6-(cyclopentylmethylsulfanyl)-2-methylhexanoate
CID 55178311
Methyl 2-amino-6-cyclopentylsulfanyl-2-methylhexanoate
CID 55178479
Methyl 2-amino-5-butylsulfanyl-2-methylpentanoate
CID 61929285
Methyl 2-amino-2-methyl-6-(2-methylpropylsulfanyl)hexanoate
CID 61929310
Methyl 2-amino-2-methyl-5-(2-methylpropylsulfanyl)pentanoate
CID 61931317
Ethyl 2-amino-2-methyl-5-(2-methylpropylsulfanyl)pentanoate
CID 61931318
Methyl 2-amino-5-(2-methoxyethylsulfanyl)-2-methylpentanoate
CID 61932129
Methyl 2-amino-5-butan-2-ylsulfanyl-2-methylpentanoate
CID 61932620
Methyl 2-amino-5-tert-butylsulfanyl-2-methylpentanoate
CID 61934076
Methyl 2-amino-2-methyl-5-propylsulfanylpentanoate
CID 61935119

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(cyclopentylmethylsulfanyl)-2-cyclopropylpropanoate?
The IUPAC name of methyl 2-amino-3-(cyclopentylmethylsulfanyl)-2-cyclopropylpropanoate (CID 63918896) is methyl 2-amino-3-(cyclopentylmethylsulfanyl)-2-cyclopropylpropanoate.
What is the SMILES notation for methyl 2-amino-3-(cyclopentylmethylsulfanyl)-2-cyclopropylpropanoate?
The canonical SMILES for methyl 2-amino-3-(cyclopentylmethylsulfanyl)-2-cyclopropylpropanoate is COC(=O)C(N)(CSCC1CCCC1)C1CC1.
What is the InChIKey of methyl 2-amino-3-(cyclopentylmethylsulfanyl)-2-cyclopropylpropanoate?
The InChIKey is UEHXKCOIIAHXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-16-12(15)13(14,11-6-7-11)9-17-8-10-4-2-3-5-10/h10-11H,2-9,14H2,1H3.
What are the key properties of methyl 2-amino-3-(cyclopentylmethylsulfanyl)-2-cyclopropylpropanoate?
methyl 2-amino-3-(cyclopentylmethylsulfanyl)-2-cyclopropylpropanoate has a molecular weight of 257.40 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 methyl 2-amino-3-(cyclopentylmethylsulfanyl)-2-cyclopropylpropanoate is sourced from PubChem (CID 63918896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).