methyl 2-[2-[[2-(cyclopropylmethylamino)acetyl]amino]ethylsulfanyl]acetate

C11H20N2O3S — CID 119777669

IUPACmethyl 2-[2-[[2-(cyclopropylmethylamino)acetyl]amino]ethylsulfanyl]acetate
SMILESCOC(=O)CSCCNC(=O)CNCC1CC1
InChIInChI=1S/C11H20N2O3S/c1-16-11(15)8-17-5-4-13-10(14)7-12-6-9-2-3-9/h9,12H,2-8H2,1H3,(H,13,14)
InChIKeyJFEOWUGESPATIC-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.01
Rot. Bonds9

About methyl 2-[2-[[2-(cyclopropylmethylamino)acetyl]amino]ethylsulfanyl]acetate

methyl 2-[2-[[2-(cyclopropylmethylamino)acetyl]amino]ethylsulfanyl]acetate (PubChem CID 119777669) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is methyl 2-[2-[[2-(cyclopropylmethylamino)acetyl]amino]ethylsulfanyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[[2-(cyclopropylmethylamino)acetyl]amino]ethylsulfanyl]acetate
PubChem CID119777669
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Namemethyl 2-[2-[[2-(cyclopropylmethylamino)acetyl]amino]ethylsulfanyl]acetate
SMILESCOC(=O)CSCCNC(=O)CNCC1CC1
InChIInChI=1S/C11H20N2O3S/c1-16-11(15)8-17-5-4-13-10(14)7-12-6-9-2-3-9/h9,12H,2-8H2,1H3,(H,13,14)
InChIKeyJFEOWUGESPATIC-UHFFFAOYSA-N
XLogP0.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-acetamidoethyl)-2-(cyclopropylmethylamino)acetamide
CID 60867423
methyl 2-[2-(4-aminobutanoylamino)ethylsulfanyl]acetate
CID 119320170
3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-methoxyethyl)propanamide
CID 112701684
2-(cyclopropylmethylamino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 119691502
N-(cyanomethyl)-2-(cyclopropylmethylamino)acetamide
CID 28566856
2-(cyclopropylmethylamino)-N-(3-cyclopropylpropyl)acetamide
CID 115740556
2-[(4-hydroxycyclohexyl)methylamino]-N-propylacetamide
CID 106133332
N-(2-cyclobutylethyl)-2-(cyclopropylmethylamino)acetamide
CID 115739981
methyl 2-[2-(piperidine-2-carbonylamino)ethylsulfanyl]acetate
CID 119320148
methyl 2-[2-[[(1S,2S)-2-aminocycloheptanecarbonyl]amino]ethylsulfanyl]acetate
CID 100632048
methyl 2-[2-[[(1R,2R)-2-aminocycloheptanecarbonyl]amino]ethylsulfanyl]acetate
CID 100632064
2-(cyclopropylmethylamino)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide;dihydrochloride
CID 119863864

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[[2-(cyclopropylmethylamino)acetyl]amino]ethylsulfanyl]acetate?
The IUPAC name of methyl 2-[2-[[2-(cyclopropylmethylamino)acetyl]amino]ethylsulfanyl]acetate (CID 119777669) is methyl 2-[2-[[2-(cyclopropylmethylamino)acetyl]amino]ethylsulfanyl]acetate.
What is the SMILES notation for methyl 2-[2-[[2-(cyclopropylmethylamino)acetyl]amino]ethylsulfanyl]acetate?
The canonical SMILES for methyl 2-[2-[[2-(cyclopropylmethylamino)acetyl]amino]ethylsulfanyl]acetate is COC(=O)CSCCNC(=O)CNCC1CC1.
What is the InChIKey of methyl 2-[2-[[2-(cyclopropylmethylamino)acetyl]amino]ethylsulfanyl]acetate?
The InChIKey is JFEOWUGESPATIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-16-11(15)8-17-5-4-13-10(14)7-12-6-9-2-3-9/h9,12H,2-8H2,1H3,(H,13,14).
What are the key properties of methyl 2-[2-[[2-(cyclopropylmethylamino)acetyl]amino]ethylsulfanyl]acetate?
methyl 2-[2-[[2-(cyclopropylmethylamino)acetyl]amino]ethylsulfanyl]acetate has a molecular weight of 260.36 g/mol, XLogP of 0.01, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[[2-(cyclopropylmethylamino)acetyl]amino]ethylsulfanyl]acetate is sourced from PubChem (CID 119777669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).