4-(2-amino-2-methylpropyl)sulfanylbutanoic acid

C8H17NO2S — CID 66228735

IUPAC4-(2-amino-2-methylpropyl)sulfanylbutanoic acid
SMILESCC(C)(N)CSCCCC(=O)O
InChIInChI=1S/C8H17NO2S/c1-8(2,9)6-12-5-3-4-7(10)11/h3-6,9H2,1-2H3,(H,10,11)
InChIKeyRPMVEHHNOUNUCW-UHFFFAOYSA-N
MW191.30 g/mol
LogP1.32
Rot. Bonds6

About 4-(2-amino-2-methylpropyl)sulfanylbutanoic acid

4-(2-amino-2-methylpropyl)sulfanylbutanoic acid (PubChem CID 66228735) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 4-(2-amino-2-methylpropyl)sulfanylbutanoic acid.

Molecular Properties

Compound Name4-(2-amino-2-methylpropyl)sulfanylbutanoic acid
PubChem CID66228735
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name4-(2-amino-2-methylpropyl)sulfanylbutanoic acid
SMILESCC(C)(N)CSCCCC(=O)O
InChIInChI=1S/C8H17NO2S/c1-8(2,9)6-12-5-3-4-7(10)11/h3-6,9H2,1-2H3,(H,10,11)
InChIKeyRPMVEHHNOUNUCW-UHFFFAOYSA-N
XLogP1.32
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-amino-2-methylpropyl)sulfanylpropanamide
CID 66229715
6-(2-amino-2-methylpropyl)sulfanylhexan-1-ol
CID 23615100
ethyl 3-(2-amino-2-methylpropyl)sulfanylpropanoate
CID 66228269
3-(2-carboxyethylsulfanyl)-2,2-dimethylpropanoic acid
CID 21388112
1-heptylsulfanyl-2-methylpropan-2-amine
CID 66228782
3-(2-fluoro-2-methylpropyl)sulfanylpropanoic acid
CID 84657469
10-(9-carboxynonylsulfanyl)decanoic acid
CID 22572392
6-(5-carboxypentylsulfanyl)hexanoic acid
CID 11108146
4-amino-4-methylpentanoic acid
CID 158438218
4-[1-carboxy-1,2-bis(2-carboxyethylsulfanyl)ethyl]sulfanylbutanoic acid
CID 150626257
1-(2-fluoroethylsulfanyl)-2-methylpropan-2-amine
CID 80696277
chloromethane;pentanedioic acid
CID 159659659

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-methylpropyl)sulfanylbutanoic acid?
The IUPAC name of 4-(2-amino-2-methylpropyl)sulfanylbutanoic acid (CID 66228735) is 4-(2-amino-2-methylpropyl)sulfanylbutanoic acid.
What is the SMILES notation for 4-(2-amino-2-methylpropyl)sulfanylbutanoic acid?
The canonical SMILES for 4-(2-amino-2-methylpropyl)sulfanylbutanoic acid is CC(C)(N)CSCCCC(=O)O.
What is the InChIKey of 4-(2-amino-2-methylpropyl)sulfanylbutanoic acid?
The InChIKey is RPMVEHHNOUNUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-8(2,9)6-12-5-3-4-7(10)11/h3-6,9H2,1-2H3,(H,10,11).
What are the key properties of 4-(2-amino-2-methylpropyl)sulfanylbutanoic acid?
4-(2-amino-2-methylpropyl)sulfanylbutanoic acid has a molecular weight of 191.30 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-methylpropyl)sulfanylbutanoic acid is sourced from PubChem (CID 66228735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).