3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)oxolane-3-carboxamide

C10H20N2O3S — CID 106161513

IUPAC3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)oxolane-3-carboxamide
SMILESCSC(CO)C(C)NC(=O)C1(N)CCOC1
InChIInChI=1S/C10H20N2O3S/c1-7(8(5-13)16-2)12-9(14)10(11)3-4-15-6-10/h7-8,13H,3-6,11H2,1-2H3,(H,12,14)
InChIKeyUEIRFRWJYWSBGX-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.67
Rot. Bonds5

About 3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)oxolane-3-carboxamide

3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)oxolane-3-carboxamide (PubChem CID 106161513) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)oxolane-3-carboxamide
PubChem CID106161513
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)oxolane-3-carboxamide
SMILESCSC(CO)C(C)NC(=O)C1(N)CCOC1
InChIInChI=1S/C10H20N2O3S/c1-7(8(5-13)16-2)12-9(14)10(11)3-4-15-6-10/h7-8,13H,3-6,11H2,1-2H3,(H,12,14)
InChIKeyUEIRFRWJYWSBGX-UHFFFAOYSA-N
XLogP-0.67
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)oxolane-3-carboxamide (CID 106161513) is 3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)oxolane-3-carboxamide is CSC(CO)C(C)NC(=O)C1(N)CCOC1.
What is the InChIKey of 3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)oxolane-3-carboxamide?
The InChIKey is UEIRFRWJYWSBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-7(8(5-13)16-2)12-9(14)10(11)3-4-15-6-10/h7-8,13H,3-6,11H2,1-2H3,(H,12,14).
What are the key properties of 3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)oxolane-3-carboxamide?
3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)oxolane-3-carboxamide has a molecular weight of 248.35 g/mol, XLogP of -0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)oxolane-3-carboxamide is sourced from PubChem (CID 106161513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).