2-cyclopropyl-2-(methylamino)-3-methylsulfanylpropanoic acid

C8H15NO2S — CID 63919450

IUPAC2-cyclopropyl-2-(methylamino)-3-methylsulfanylpropanoic acid
SMILESCNC(CSC)(C(=O)O)C1CC1
InChIInChI=1S/C8H15NO2S/c1-9-8(5-12-2,7(10)11)6-3-4-6/h6,9H,3-5H2,1-2H3,(H,10,11)
InChIKeyGVKDNXXMHOAZCU-UHFFFAOYSA-N
MW189.28 g/mol
LogP0.80
Rot. Bonds5

About 2-cyclopropyl-2-(methylamino)-3-methylsulfanylpropanoic acid

2-cyclopropyl-2-(methylamino)-3-methylsulfanylpropanoic acid (PubChem CID 63919450) has the molecular formula C8H15NO2S and a molecular weight of 189.28 g/mol. Its IUPAC name is 2-cyclopropyl-2-(methylamino)-3-methylsulfanylpropanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(methylamino)-3-methylsulfanylpropanoic acid
PubChem CID63919450
Molecular FormulaC8H15NO2S
Molecular Weight189.28 g/mol
Exact Mass189.08
IUPAC Name2-cyclopropyl-2-(methylamino)-3-methylsulfanylpropanoic acid
SMILESCNC(CSC)(C(=O)O)C1CC1
InChIInChI=1S/C8H15NO2S/c1-9-8(5-12-2,7(10)11)6-3-4-6/h6,9H,3-5H2,1-2H3,(H,10,11)
InChIKeyGVKDNXXMHOAZCU-UHFFFAOYSA-N
XLogP0.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butylsulfanyl-2-cyclopropyl-2-(methylamino)propanoic acid
CID 63916299
3-(4-bromophenyl)sulfanyl-2-cyclopropyl-2-(methylamino)propanoic acid
CID 63917649
methyl 2-cyclopropyl-3-ethylsulfanyl-2-(methylamino)propanoate
CID 63915905
2-cyclopropyl-2-(methylamino)-3-pyridin-2-ylsulfanylpropanoic acid
CID 63917687
2-cyclopropyl-3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(methylamino)propanoic acid
CID 63918452
methyl 3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(methylamino)propanoate
CID 63921449
2-cyclopropyl-3-[cyclopropylmethyl(methyl)amino]-2-(methylamino)propanoic acid
CID 63910926
2-cyclopropyl-3-(3-hydroxypropylsulfanyl)-2-(methylamino)propanamide
CID 66128112
2-cyclopropyl-3-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(methylamino)propanoic acid
CID 63919673
methyl 3-butylsulfanyl-2-cyclopropyl-2-(methylamino)propanoate
CID 63917639
2-cyclopropyl-2-(methylamino)-3-pentylsulfanylpropanamide
CID 107755622
2-cyclopropyl-2-(methylamino)-3-(7H-purin-6-ylsulfanyl)propanoic acid
CID 63919657

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(methylamino)-3-methylsulfanylpropanoic acid?
The IUPAC name of 2-cyclopropyl-2-(methylamino)-3-methylsulfanylpropanoic acid (CID 63919450) is 2-cyclopropyl-2-(methylamino)-3-methylsulfanylpropanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(methylamino)-3-methylsulfanylpropanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(methylamino)-3-methylsulfanylpropanoic acid is CNC(CSC)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(methylamino)-3-methylsulfanylpropanoic acid?
The InChIKey is GVKDNXXMHOAZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2S/c1-9-8(5-12-2,7(10)11)6-3-4-6/h6,9H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 2-cyclopropyl-2-(methylamino)-3-methylsulfanylpropanoic acid?
2-cyclopropyl-2-(methylamino)-3-methylsulfanylpropanoic acid has a molecular weight of 189.28 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(methylamino)-3-methylsulfanylpropanoic acid is sourced from PubChem (CID 63919450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).