4-cyclohexylsulfanyl-2-(cyclopropylamino)-2-methylpentanoic acid

C15H27NO2S — CID 64711886

IUPAC4-cyclohexylsulfanyl-2-(cyclopropylamino)-2-methylpentanoic acid
SMILESCC(CC(C)(NC1CC1)C(=O)O)SC1CCCCC1
InChIInChI=1S/C15H27NO2S/c1-11(19-13-6-4-3-5-7-13)10-15(2,14(17)18)16-12-8-9-12/h11-13,16H,3-10H2,1-2H3,(H,17,18)
InChIKeyBROLRGOQTSPJPS-UHFFFAOYSA-N
MW285.45 g/mol
LogP3.43
Rot. Bonds7

About 4-cyclohexylsulfanyl-2-(cyclopropylamino)-2-methylpentanoic acid

4-cyclohexylsulfanyl-2-(cyclopropylamino)-2-methylpentanoic acid (PubChem CID 64711886) has the molecular formula C15H27NO2S and a molecular weight of 285.45 g/mol. Its IUPAC name is 4-cyclohexylsulfanyl-2-(cyclopropylamino)-2-methylpentanoic acid.

Molecular Properties

Compound Name4-cyclohexylsulfanyl-2-(cyclopropylamino)-2-methylpentanoic acid
PubChem CID64711886
Molecular FormulaC15H27NO2S
Molecular Weight285.45 g/mol
Exact Mass285.18
IUPAC Name4-cyclohexylsulfanyl-2-(cyclopropylamino)-2-methylpentanoic acid
SMILESCC(CC(C)(NC1CC1)C(=O)O)SC1CCCCC1
InChIInChI=1S/C15H27NO2S/c1-11(19-13-6-4-3-5-7-13)10-15(2,14(17)18)16-12-8-9-12/h11-13,16H,3-10H2,1-2H3,(H,17,18)
InChIKeyBROLRGOQTSPJPS-UHFFFAOYSA-N
XLogP3.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.45
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclohexylsulfanyl-2-(ethylamino)-2-methylpentanoic acid
CID 64711700
2-(cyclopropylamino)-2-methyl-4-methylsulfanylpentanoic acid
CID 64710146
2-amino-4-cyclohexylsulfanyl-2-methylpentanoic acid
CID 64712061
4-(cyclohexylmethoxy)-2-(cyclopropylamino)-2-methylpentanoic acid
CID 64719807
ethyl 4-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)pentanoate
CID 64705146
6-cyclopentylsulfanyl-2-(cyclopropylamino)-2-methylhexanoic acid
CID 63115953
2-(cyclopropylamino)-4-(2-ethylazepan-1-yl)-2-methylpentanoic acid
CID 104691548
2-(cyclopropylamino)-2-methyl-4-(1,3-oxazol-2-ylsulfanyl)pentanoic acid
CID 106924844
2-(cyclopropylamino)-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid
CID 64728237
2-(cyclopropylamino)-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)pentanoic acid
CID 64710184
4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoic acid
CID 107401068
2-(cyclopropylamino)-2-methyl-4-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid
CID 66276576

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylsulfanyl-2-(cyclopropylamino)-2-methylpentanoic acid?
The IUPAC name of 4-cyclohexylsulfanyl-2-(cyclopropylamino)-2-methylpentanoic acid (CID 64711886) is 4-cyclohexylsulfanyl-2-(cyclopropylamino)-2-methylpentanoic acid.
What is the SMILES notation for 4-cyclohexylsulfanyl-2-(cyclopropylamino)-2-methylpentanoic acid?
The canonical SMILES for 4-cyclohexylsulfanyl-2-(cyclopropylamino)-2-methylpentanoic acid is CC(CC(C)(NC1CC1)C(=O)O)SC1CCCCC1.
What is the InChIKey of 4-cyclohexylsulfanyl-2-(cyclopropylamino)-2-methylpentanoic acid?
The InChIKey is BROLRGOQTSPJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2S/c1-11(19-13-6-4-3-5-7-13)10-15(2,14(17)18)16-12-8-9-12/h11-13,16H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 4-cyclohexylsulfanyl-2-(cyclopropylamino)-2-methylpentanoic acid?
4-cyclohexylsulfanyl-2-(cyclopropylamino)-2-methylpentanoic acid has a molecular weight of 285.45 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylsulfanyl-2-(cyclopropylamino)-2-methylpentanoic acid is sourced from PubChem (CID 64711886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).