N-(2,3-dihydroxy-2-methylpropyl)-2-methyloxolane-3-carboxamide

C10H19NO4 — CID 79758004

IUPACN-(2,3-dihydroxy-2-methylpropyl)-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)NCC(C)(O)CO
InChIInChI=1S/C10H19NO4/c1-7-8(3-4-15-7)9(13)11-5-10(2,14)6-12/h7-8,12,14H,3-6H2,1-2H3,(H,11,13)
InChIKeyHITGNUUYMLFTAP-UHFFFAOYSA-N
MW217.26 g/mol
LogP-0.73
Rot. Bonds4

About N-(2,3-dihydroxy-2-methylpropyl)-2-methyloxolane-3-carboxamide

N-(2,3-dihydroxy-2-methylpropyl)-2-methyloxolane-3-carboxamide (PubChem CID 79758004) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is N-(2,3-dihydroxy-2-methylpropyl)-2-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroxy-2-methylpropyl)-2-methyloxolane-3-carboxamide
PubChem CID79758004
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC NameN-(2,3-dihydroxy-2-methylpropyl)-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)NCC(C)(O)CO
InChIInChI=1S/C10H19NO4/c1-7-8(3-4-15-7)9(13)11-5-10(2,14)6-12/h7-8,12,14H,3-6H2,1-2H3,(H,11,13)
InChIKeyHITGNUUYMLFTAP-UHFFFAOYSA-N
XLogP-0.73
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-2-methyloxolane-3-carboxamide?
The IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-2-methyloxolane-3-carboxamide (CID 79758004) is N-(2,3-dihydroxy-2-methylpropyl)-2-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydroxy-2-methylpropyl)-2-methyloxolane-3-carboxamide?
The canonical SMILES for N-(2,3-dihydroxy-2-methylpropyl)-2-methyloxolane-3-carboxamide is CC1OCCC1C(=O)NCC(C)(O)CO.
What is the InChIKey of N-(2,3-dihydroxy-2-methylpropyl)-2-methyloxolane-3-carboxamide?
The InChIKey is HITGNUUYMLFTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-7-8(3-4-15-7)9(13)11-5-10(2,14)6-12/h7-8,12,14H,3-6H2,1-2H3,(H,11,13).
What are the key properties of N-(2,3-dihydroxy-2-methylpropyl)-2-methyloxolane-3-carboxamide?
N-(2,3-dihydroxy-2-methylpropyl)-2-methyloxolane-3-carboxamide has a molecular weight of 217.26 g/mol, XLogP of -0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxy-2-methylpropyl)-2-methyloxolane-3-carboxamide is sourced from PubChem (CID 79758004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).