(2S,3R)-2-(cyclopropylsulfonylamino)-3-hydroxybutanoic acid

C7H13NO5S — CID 104935303

IUPAC(2S,3R)-2-(cyclopropylsulfonylamino)-3-hydroxybutanoic acid
SMILESC[C@@H](O)[C@H](NS(=O)(=O)C1CC1)C(=O)O
InChIInChI=1S/C7H13NO5S/c1-4(9)6(7(10)11)8-14(12,13)5-2-3-5/h4-6,8-9H,2-3H2,1H3,(H,10,11)/t4-,6+/m1/s1
InChIKeyKHOREOOIWNUDGL-XINAWCOVSA-N
MW223.25 g/mol
LogP-1.10
Rot. Bonds5

About (2S,3R)-2-(cyclopropylsulfonylamino)-3-hydroxybutanoic acid

(2S,3R)-2-(cyclopropylsulfonylamino)-3-hydroxybutanoic acid (PubChem CID 104935303) has the molecular formula C7H13NO5S and a molecular weight of 223.25 g/mol. Its IUPAC name is (2S,3R)-2-(cyclopropylsulfonylamino)-3-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-(cyclopropylsulfonylamino)-3-hydroxybutanoic acid
PubChem CID104935303
Molecular FormulaC7H13NO5S
Molecular Weight223.25 g/mol
Exact Mass223.05
IUPAC Name(2S,3R)-2-(cyclopropylsulfonylamino)-3-hydroxybutanoic acid
SMILESC[C@@H](O)[C@H](NS(=O)(=O)C1CC1)C(=O)O
InChIInChI=1S/C7H13NO5S/c1-4(9)6(7(10)11)8-14(12,13)5-2-3-5/h4-6,8-9H,2-3H2,1H3,(H,10,11)/t4-,6+/m1/s1
InChIKeyKHOREOOIWNUDGL-XINAWCOVSA-N
XLogP-1.10
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(cyclopropylsulfonylamino)-3-methylbutanoic acid
CID 79011296
(2S)-2-[(4-ethylcyclohexyl)sulfonylamino]-3-methylbutanoic acid
CID 143588619
2-(cyclopentylsulfonylamino)-3-methylpentanoic acid
CID 105360683
(2R)-2-(cyclopentylsulfonylamino)propanoic acid
CID 105360780
(2R)-2-(cyclopropylsulfonylamino)-4-methylpentanoic acid
CID 78996641
2-(ethylsulfonylamino)-3-hydroxybutanoic acid
CID 16776843
(2S,3S)-3-hydroxy-2-[(3-sulfocyclopentanecarbonyl)amino]butanoic acid
CID 140895558
(2S,3R)-3-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 28783815
methyl 3-methyl-2-(oxan-4-ylsulfonylamino)butanoate
CID 62048094
(2S,3R)-2-(1-cyanoethylsulfonylamino)-3-hydroxybutanoic acid
CID 104965148
(2S)-2-(cyclopropylsulfonylamino)-4-methoxy-4-oxobutanoic acid
CID 64553878
2-[(1,1-dioxothiolan-3-yl)sulfonylamino]-3-methylpentanoic acid
CID 43351320

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(cyclopropylsulfonylamino)-3-hydroxybutanoic acid?
The IUPAC name of (2S,3R)-2-(cyclopropylsulfonylamino)-3-hydroxybutanoic acid (CID 104935303) is (2S,3R)-2-(cyclopropylsulfonylamino)-3-hydroxybutanoic acid.
What is the SMILES notation for (2S,3R)-2-(cyclopropylsulfonylamino)-3-hydroxybutanoic acid?
The canonical SMILES for (2S,3R)-2-(cyclopropylsulfonylamino)-3-hydroxybutanoic acid is C[C@@H](O)[C@H](NS(=O)(=O)C1CC1)C(=O)O.
What is the InChIKey of (2S,3R)-2-(cyclopropylsulfonylamino)-3-hydroxybutanoic acid?
The InChIKey is KHOREOOIWNUDGL-XINAWCOVSA-N. The full InChI is InChI=1S/C7H13NO5S/c1-4(9)6(7(10)11)8-14(12,13)5-2-3-5/h4-6,8-9H,2-3H2,1H3,(H,10,11)/t4-,6+/m1/s1.
What are the key properties of (2S,3R)-2-(cyclopropylsulfonylamino)-3-hydroxybutanoic acid?
(2S,3R)-2-(cyclopropylsulfonylamino)-3-hydroxybutanoic acid has a molecular weight of 223.25 g/mol, XLogP of -1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(cyclopropylsulfonylamino)-3-hydroxybutanoic acid is sourced from PubChem (CID 104935303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).