(2R)-2-(cyclopropylsulfonylamino)-3-methylbutanoic acid

C8H15NO4S — CID 79011296

IUPAC(2R)-2-(cyclopropylsulfonylamino)-3-methylbutanoic acid
SMILESCC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)O
InChIInChI=1S/C8H15NO4S/c1-5(2)7(8(10)11)9-14(12,13)6-3-4-6/h5-7,9H,3-4H2,1-2H3,(H,10,11)/t7-/m1/s1
InChIKeyJKFDDZQXZDSCRB-SSDOTTSWSA-N
MW221.28 g/mol
LogP0.18
Rot. Bonds5

About (2R)-2-(cyclopropylsulfonylamino)-3-methylbutanoic acid

(2R)-2-(cyclopropylsulfonylamino)-3-methylbutanoic acid (PubChem CID 79011296) has the molecular formula C8H15NO4S and a molecular weight of 221.28 g/mol. Its IUPAC name is (2R)-2-(cyclopropylsulfonylamino)-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-(cyclopropylsulfonylamino)-3-methylbutanoic acid
PubChem CID79011296
Molecular FormulaC8H15NO4S
Molecular Weight221.28 g/mol
Exact Mass221.07
IUPAC Name(2R)-2-(cyclopropylsulfonylamino)-3-methylbutanoic acid
SMILESCC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)O
InChIInChI=1S/C8H15NO4S/c1-5(2)7(8(10)11)9-14(12,13)6-3-4-6/h5-7,9H,3-4H2,1-2H3,(H,10,11)/t7-/m1/s1
InChIKeyJKFDDZQXZDSCRB-SSDOTTSWSA-N
XLogP0.18
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-ethylcyclohexyl)sulfonylamino]-3-methylbutanoic acid
CID 143588619
(2S,3R)-2-(cyclopropylsulfonylamino)-3-hydroxybutanoic acid
CID 104935303
2-(cyclopentylsulfonylamino)-3-methylpentanoic acid
CID 105360683
methyl 3-methyl-2-(oxan-4-ylsulfonylamino)butanoate
CID 62048094
(2R)-2-(cyclopentylsulfonylamino)propanoic acid
CID 105360780
(2R)-2-(cyclopropylsulfonylamino)-4-methylpentanoic acid
CID 78996641
(2S)-2-(cyclopropylsulfonylamino)-4-methoxy-4-oxobutanoic acid
CID 64553878
2-(cyclopentylsulfonylamino)-3,3-dimethylbutanoic acid
CID 105360711
3-methyl-2-[2-(oxan-4-yl)ethylsulfonylamino]butanoic acid
CID 122067763
3-methyl-2-[(2-methylpyrrolidin-1-yl)sulfonylamino]butanoic acid
CID 122067923
(2S)-3-methyl-2-(morpholin-4-ylsulfonylamino)butanoic acid
CID 10445626
2-[(1,1-dioxothiolan-3-yl)sulfonylamino]-3-methylpentanoic acid
CID 43351320

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclopropylsulfonylamino)-3-methylbutanoic acid?
The IUPAC name of (2R)-2-(cyclopropylsulfonylamino)-3-methylbutanoic acid (CID 79011296) is (2R)-2-(cyclopropylsulfonylamino)-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-(cyclopropylsulfonylamino)-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-(cyclopropylsulfonylamino)-3-methylbutanoic acid is CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)O.
What is the InChIKey of (2R)-2-(cyclopropylsulfonylamino)-3-methylbutanoic acid?
The InChIKey is JKFDDZQXZDSCRB-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15NO4S/c1-5(2)7(8(10)11)9-14(12,13)6-3-4-6/h5-7,9H,3-4H2,1-2H3,(H,10,11)/t7-/m1/s1.
What are the key properties of (2R)-2-(cyclopropylsulfonylamino)-3-methylbutanoic acid?
(2R)-2-(cyclopropylsulfonylamino)-3-methylbutanoic acid has a molecular weight of 221.28 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclopropylsulfonylamino)-3-methylbutanoic acid is sourced from PubChem (CID 79011296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).