2-(cyclopropylamino)-2-methyl-4-methylsulfanylpentanoic acid

C10H19NO2S — CID 64710146

IUPAC2-(cyclopropylamino)-2-methyl-4-methylsulfanylpentanoic acid
SMILESCSC(C)CC(C)(NC1CC1)C(=O)O
InChIInChI=1S/C10H19NO2S/c1-7(14-3)6-10(2,9(12)13)11-8-4-5-8/h7-8,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyFFSBSEAPLGMQBE-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.72
Rot. Bonds6

About 2-(cyclopropylamino)-2-methyl-4-methylsulfanylpentanoic acid

2-(cyclopropylamino)-2-methyl-4-methylsulfanylpentanoic acid (PubChem CID 64710146) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-4-methylsulfanylpentanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-4-methylsulfanylpentanoic acid
PubChem CID64710146
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name2-(cyclopropylamino)-2-methyl-4-methylsulfanylpentanoic acid
SMILESCSC(C)CC(C)(NC1CC1)C(=O)O
InChIInChI=1S/C10H19NO2S/c1-7(14-3)6-10(2,9(12)13)11-8-4-5-8/h7-8,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyFFSBSEAPLGMQBE-UHFFFAOYSA-N
XLogP1.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclohexylsulfanyl-2-(cyclopropylamino)-2-methylpentanoic acid
CID 64711886
2-(cyclopropylamino)-2-methyl-4-(1,3-oxazol-2-ylsulfanyl)pentanoic acid
CID 106924844
2-(cyclopropylamino)-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)pentanoic acid
CID 64710184
2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid
CID 64728237
2-methyl-4-methylsulfanyl-2-(propylamino)pentanoic acid
CID 64712091
2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid
CID 66276576
2-(cyclopropylamino)-4-[1-cyclopropylethyl(methyl)amino]-2-methylpentanoic acid
CID 64710762
4-[(5-chloro-2-pyridinyl)sulfanyl]-2-(cyclopropylamino)-2-methylpentanoic acid
CID 64704367
2-(cyclopropylamino)-2-methyl-4-[methyl(3-methylbutyl)amino]pentanoic acid
CID 64711089
4-(cyclohexylmethoxy)-2-(cyclopropylamino)-2-methylpentanoic acid
CID 64719807
2-(cyclopropylamino)-2-methyl-4-(3,3,3-trifluoropropoxy)pentanoic acid
CID 82956944
2-(cyclopropylamino)-4-(3,4-dimethylcyclohexyl)oxy-2-methylpentanoic acid
CID 64746960

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-4-methylsulfanylpentanoic acid?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-4-methylsulfanylpentanoic acid (CID 64710146) is 2-(cyclopropylamino)-2-methyl-4-methylsulfanylpentanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-4-methylsulfanylpentanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-4-methylsulfanylpentanoic acid is CSC(C)CC(C)(NC1CC1)C(=O)O.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-4-methylsulfanylpentanoic acid?
The InChIKey is FFSBSEAPLGMQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-7(14-3)6-10(2,9(12)13)11-8-4-5-8/h7-8,11H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 2-(cyclopropylamino)-2-methyl-4-methylsulfanylpentanoic acid?
2-(cyclopropylamino)-2-methyl-4-methylsulfanylpentanoic acid has a molecular weight of 217.33 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-4-methylsulfanylpentanoic acid is sourced from PubChem (CID 64710146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).