methyl 1-(cyclopropylamino)-2-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxylate

C15H22N2O3S — CID 106924901

IUPACmethyl 1-(cyclopropylamino)-2-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC2CC2)CCCC1CCSc1ncco1
InChIInChI=1S/C15H22N2O3S/c1-19-13(18)15(17-12-4-5-12)7-2-3-11(15)6-10-21-14-16-8-9-20-14/h8-9,11-12,17H,2-7,10H2,1H3
InChIKeyATUAHUXWCPUUOU-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.62
Rot. Bonds7

About methyl 1-(cyclopropylamino)-2-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxylate

methyl 1-(cyclopropylamino)-2-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxylate (PubChem CID 106924901) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is methyl 1-(cyclopropylamino)-2-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(cyclopropylamino)-2-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxylate
PubChem CID106924901
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Namemethyl 1-(cyclopropylamino)-2-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC2CC2)CCCC1CCSc1ncco1
InChIInChI=1S/C15H22N2O3S/c1-19-13(18)15(17-12-4-5-12)7-2-3-11(15)6-10-21-14-16-8-9-20-14/h8-9,11-12,17H,2-7,10H2,1H3
InChIKeyATUAHUXWCPUUOU-UHFFFAOYSA-N
XLogP2.62
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(cyclopropylamino)-2-(2-methylsulfanylethyl)cyclopentane-1-carboxylate
CID 79588054
methyl 1-(cyclopropylamino)-2-[2-(2,3-dihydroxypropylsulfanyl)ethyl]cyclopentane-1-carboxylate
CID 79671934
methyl 1-(cyclopropylamino)-2-[2-(3-hydroxy-2-methylpropyl)sulfanylethyl]cyclopentane-1-carboxylate
CID 79555486
methyl 2-[2-[(3-bromo-2-pyridinyl)sulfanyl]ethyl]-1-(methylamino)cyclopentane-1-carboxylate
CID 79557139
1-(cyclopropylamino)-2-[2-(1H-imidazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxamide
CID 107781838
methyl 1-(ethylamino)-2-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxylate
CID 104603829
methyl 1-(ethylamino)-2-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxylate
CID 79586715
methyl 1-(propan-2-ylamino)-2-[2-(1,3,4-thiadiazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxylate
CID 79586576
methyl 2-[2-(3-bromophenyl)sulfanylethyl]-1-(methylamino)cyclopentane-1-carboxylate
CID 79555805
2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-oxazole
CID 106923970
1-(cyclopropylamino)-2-(2-methoxyethyl)cyclopentane-1-carboxylic acid
CID 79581172
methyl 1-(cyclopentylamino)-2-methylcyclopentane-1-carboxylate
CID 65045135

Frequently Asked Questions

What is the IUPAC name of methyl 1-(cyclopropylamino)-2-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(cyclopropylamino)-2-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxylate (CID 106924901) is methyl 1-(cyclopropylamino)-2-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(cyclopropylamino)-2-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(cyclopropylamino)-2-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxylate is COC(=O)C1(NC2CC2)CCCC1CCSc1ncco1.
What is the InChIKey of methyl 1-(cyclopropylamino)-2-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxylate?
The InChIKey is ATUAHUXWCPUUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-19-13(18)15(17-12-4-5-12)7-2-3-11(15)6-10-21-14-16-8-9-20-14/h8-9,11-12,17H,2-7,10H2,1H3.
What are the key properties of methyl 1-(cyclopropylamino)-2-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxylate?
methyl 1-(cyclopropylamino)-2-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxylate has a molecular weight of 310.42 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(cyclopropylamino)-2-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 106924901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).