2-amino-2-cyclobutyl-4-methylsulfanylbutanoic acid

C9H17NO2S — CID 144746500

IUPAC2-amino-2-cyclobutyl-4-methylsulfanylbutanoic acid
SMILESCSCCC(N)(C(=O)O)C1CCC1
InChIInChI=1S/C9H17NO2S/c1-13-6-5-9(10,8(11)12)7-3-2-4-7/h7H,2-6,10H2,1H3,(H,11,12)
InChIKeyCUUPNLGMPGNBLA-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.32
Rot. Bonds5

About 2-amino-2-cyclobutyl-4-methylsulfanylbutanoic acid

2-amino-2-cyclobutyl-4-methylsulfanylbutanoic acid (PubChem CID 144746500) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 2-amino-2-cyclobutyl-4-methylsulfanylbutanoic acid.

Molecular Properties

Compound Name2-amino-2-cyclobutyl-4-methylsulfanylbutanoic acid
PubChem CID144746500
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name2-amino-2-cyclobutyl-4-methylsulfanylbutanoic acid
SMILESCSCCC(N)(C(=O)O)C1CCC1
InChIInChI=1S/C9H17NO2S/c1-13-6-5-9(10,8(11)12)7-3-2-4-7/h7H,2-6,10H2,1H3,(H,11,12)
InChIKeyCUUPNLGMPGNBLA-UHFFFAOYSA-N
XLogP1.32
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-2-[2-(butylsulfonimidoyl)ethyl]hexanoic acid
CID 20639633
(2S)-2-amino-2-methylhexanoic acid;(2S)-2-amino-2-methyl-4-methylsulfanylbutanoic acid
CID 20640243
2-Amino-2-[2-(butylsulfonimidoyl)ethyl]hexanoic acid
CID 21263480
2-Amino-2-(2-methylsulfanylethyl)pentanoic acid
CID 22102457
(2S)-2-amino-2-cyclobutyl-3-methylbutanoic acid
CID 66778692
2-Amino-2-methyl-3-(2,2,4,4-tetramethylthietan-3-yl)propanoic acid
CID 70419188
(2S)-2-amino-3-methyl-6-methylsulfanylhexanoic acid
CID 87280948
(2S)-2-amino-2-(2-butylsulfanylethyl)pentanoic acid
CID 87966221
(2S)-2-amino-3-methyl-5-methylsulfanylheptanoic acid
CID 89244464
2-Amino-3-methyl-5-methylsulfanylhexanoic acid
CID 123155966
2-Amino-2-cyclohexyl-4-methylsulfanylbutanoic acid
CID 140382207
(2S)-2-amino-2-(2-butylsulfanylethyl)hexanoic acid
CID 140408264

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclobutyl-4-methylsulfanylbutanoic acid?
The IUPAC name of 2-amino-2-cyclobutyl-4-methylsulfanylbutanoic acid (CID 144746500) is 2-amino-2-cyclobutyl-4-methylsulfanylbutanoic acid.
What is the SMILES notation for 2-amino-2-cyclobutyl-4-methylsulfanylbutanoic acid?
The canonical SMILES for 2-amino-2-cyclobutyl-4-methylsulfanylbutanoic acid is CSCCC(N)(C(=O)O)C1CCC1.
What is the InChIKey of 2-amino-2-cyclobutyl-4-methylsulfanylbutanoic acid?
The InChIKey is CUUPNLGMPGNBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-13-6-5-9(10,8(11)12)7-3-2-4-7/h7H,2-6,10H2,1H3,(H,11,12).
What are the key properties of 2-amino-2-cyclobutyl-4-methylsulfanylbutanoic acid?
2-amino-2-cyclobutyl-4-methylsulfanylbutanoic acid has a molecular weight of 203.31 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclobutyl-4-methylsulfanylbutanoic acid is sourced from PubChem (CID 144746500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).