methyl 3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(methylamino)propanoate

C14H25NO2S — CID 63921449

IUPACmethyl 3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(methylamino)propanoate
SMILESCNC(CSCC1CCCC1)(C(=O)OC)C1CC1
InChIInChI=1S/C14H25NO2S/c1-15-14(12-7-8-12,13(16)17-2)10-18-9-11-5-3-4-6-11/h11-12,15H,3-10H2,1-2H3
InChIKeyJTYDIVXAPMKJIP-UHFFFAOYSA-N
MW271.43 g/mol
LogP2.45
Rot. Bonds7

About methyl 3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(methylamino)propanoate

methyl 3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(methylamino)propanoate (PubChem CID 63921449) has the molecular formula C14H25NO2S and a molecular weight of 271.43 g/mol. Its IUPAC name is methyl 3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(methylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(methylamino)propanoate
PubChem CID63921449
Molecular FormulaC14H25NO2S
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC Namemethyl 3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(methylamino)propanoate
SMILESCNC(CSCC1CCCC1)(C(=O)OC)C1CC1
InChIInChI=1S/C14H25NO2S/c1-15-14(12-7-8-12,13(16)17-2)10-18-9-11-5-3-4-6-11/h11-12,15H,3-10H2,1-2H3
InChIKeyJTYDIVXAPMKJIP-UHFFFAOYSA-N
XLogP2.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-cyclopropyl-3-ethylsulfanyl-2-(methylamino)propanoate
CID 63915905
methyl 3-butylsulfanyl-2-cyclopropyl-2-(methylamino)propanoate
CID 63917639
methyl 2-cyclopropyl-3-(3-methoxypropylsulfanyl)-2-(methylamino)propanoate
CID 63921067
methyl 3-(cyclopentylmethylsulfanyl)-2-methyl-2-(propan-2-ylamino)propanoate
CID 63120139
methyl 2-cyclopropyl-2-(methylamino)-3-[(2-methylphenyl)methylsulfanyl]propanoate
CID 63918885
3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(methylamino)propan-1-ol
CID 64805519
methyl 2-cyclopropyl-2-(methylamino)-3-(2-methylfuran-3-yl)sulfanylpropanoate
CID 107782150
methyl 2-cyclopropyl-2-(methylamino)-3-(4-methylazepan-1-yl)propanoate
CID 63927664
methyl 2-cyclopropyl-2-(methylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propanoate
CID 63915739
2-cyclopropyl-2-(methylamino)-3-methylsulfanylpropanoic acid
CID 63919450
methyl 2-cyclopropyl-3-(3-ethylpiperidin-1-yl)-2-(methylamino)propanoate
CID 63911312
methyl 2-cyclopropyl-2-(ethylamino)-3-[2-(methylamino)-2-oxoethyl]sulfanylpropanoate
CID 114231919

Frequently Asked Questions

What is the IUPAC name of methyl 3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(methylamino)propanoate?
The IUPAC name of methyl 3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(methylamino)propanoate (CID 63921449) is methyl 3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(methylamino)propanoate.
What is the SMILES notation for methyl 3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(methylamino)propanoate?
The canonical SMILES for methyl 3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(methylamino)propanoate is CNC(CSCC1CCCC1)(C(=O)OC)C1CC1.
What is the InChIKey of methyl 3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(methylamino)propanoate?
The InChIKey is JTYDIVXAPMKJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2S/c1-15-14(12-7-8-12,13(16)17-2)10-18-9-11-5-3-4-6-11/h11-12,15H,3-10H2,1-2H3.
What are the key properties of methyl 3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(methylamino)propanoate?
methyl 3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(methylamino)propanoate has a molecular weight of 271.43 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(methylamino)propanoate is sourced from PubChem (CID 63921449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).