(2S,3S,4R)-5-methoxy-N,3,4-trimethyloxolane-2-carboxamide

C9H17NO3 — CID 59909590

IUPAC(2S,3S,4R)-5-methoxy-N,3,4-trimethyloxolane-2-carboxamide
SMILESCNC(=O)[C@H]1OC(OC)[C@H](C)[C@@H]1C
InChIInChI=1S/C9H17NO3/c1-5-6(2)9(12-4)13-7(5)8(11)10-3/h5-7,9H,1-4H3,(H,10,11)/t5-,6+,7-,9?/m0/s1
InChIKeyBUSJABNKLKOUQX-WPRFRAJKSA-N
MW187.24 g/mol
LogP0.38
Rot. Bonds2

About (2S,3S,4R)-5-methoxy-N,3,4-trimethyloxolane-2-carboxamide

(2S,3S,4R)-5-methoxy-N,3,4-trimethyloxolane-2-carboxamide (PubChem CID 59909590) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is (2S,3S,4R)-5-methoxy-N,3,4-trimethyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,3S,4R)-5-methoxy-N,3,4-trimethyloxolane-2-carboxamide
PubChem CID59909590
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name(2S,3S,4R)-5-methoxy-N,3,4-trimethyloxolane-2-carboxamide
SMILESCNC(=O)[C@H]1OC(OC)[C@H](C)[C@@H]1C
InChIInChI=1S/C9H17NO3/c1-5-6(2)9(12-4)13-7(5)8(11)10-3/h5-7,9H,1-4H3,(H,10,11)/t5-,6+,7-,9?/m0/s1
InChIKeyBUSJABNKLKOUQX-WPRFRAJKSA-N
XLogP0.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R)-5-methoxy-N,3,4-trimethyloxolane-2-carboxamide?
The IUPAC name of (2S,3S,4R)-5-methoxy-N,3,4-trimethyloxolane-2-carboxamide (CID 59909590) is (2S,3S,4R)-5-methoxy-N,3,4-trimethyloxolane-2-carboxamide.
What is the SMILES notation for (2S,3S,4R)-5-methoxy-N,3,4-trimethyloxolane-2-carboxamide?
The canonical SMILES for (2S,3S,4R)-5-methoxy-N,3,4-trimethyloxolane-2-carboxamide is CNC(=O)[C@H]1OC(OC)[C@H](C)[C@@H]1C.
What is the InChIKey of (2S,3S,4R)-5-methoxy-N,3,4-trimethyloxolane-2-carboxamide?
The InChIKey is BUSJABNKLKOUQX-WPRFRAJKSA-N. The full InChI is InChI=1S/C9H17NO3/c1-5-6(2)9(12-4)13-7(5)8(11)10-3/h5-7,9H,1-4H3,(H,10,11)/t5-,6+,7-,9?/m0/s1.
What are the key properties of (2S,3S,4R)-5-methoxy-N,3,4-trimethyloxolane-2-carboxamide?
(2S,3S,4R)-5-methoxy-N,3,4-trimethyloxolane-2-carboxamide has a molecular weight of 187.24 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-5-methoxy-N,3,4-trimethyloxolane-2-carboxamide is sourced from PubChem (CID 59909590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).