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

C10H19NO4 — CID 66169153

IUPACN-(2,3-dihydroxy-2-methylpropyl)oxane-2-carboxamide
SMILESCC(O)(CO)CNC(=O)C1CCCCO1
InChIInChI=1S/C10H19NO4/c1-10(14,7-12)6-11-9(13)8-4-2-3-5-15-8/h8,12,14H,2-7H2,1H3,(H,11,13)
InChIKeyUBQKKULWUJDWMU-UHFFFAOYSA-N
MW217.26 g/mol
LogP-0.58
Rot. Bonds4

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

N-(2,3-dihydroxy-2-methylpropyl)oxane-2-carboxamide (PubChem CID 66169153) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is N-(2,3-dihydroxy-2-methylpropyl)oxane-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroxy-2-methylpropyl)oxane-2-carboxamide
PubChem CID66169153
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC NameN-(2,3-dihydroxy-2-methylpropyl)oxane-2-carboxamide
SMILESCC(O)(CO)CNC(=O)C1CCCCO1
InChIInChI=1S/C10H19NO4/c1-10(14,7-12)6-11-9(13)8-4-2-3-5-15-8/h8,12,14H,2-7H2,1H3,(H,11,13)
InChIKeyUBQKKULWUJDWMU-UHFFFAOYSA-N
XLogP-0.58
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 ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-methylpropyl)oxolane-2-carboxamide
CID 65109937
N-(3-chloro-2,2-dimethylpropyl)oxane-2-carboxamide
CID 115364704
(2R)-N-(2,2-dimethylpropyl)oxolane-2-carboxamide
CID 130748456
(2S)-N-[2,2-dimethyl-3-[[(2R)-oxolane-2-carbonyl]amino]propyl]oxolane-2-carboxamide
CID 2168654
N-(2,2-dimethylpropyl)oxolane-2-carboxamide
CID 21060492
N-(4-chloro-2,2-dimethylbutyl)oxane-2-carboxamide
CID 106142571
(2S)-N-(2,2-diphenylpropyl)oxane-2-carboxamide
CID 99932597
N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide
CID 130652642
N-(2-oxopropyl)oxane-2-carboxamide
CID 64997273
2-methyl-2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]butanoic acid
CID 104855932
(2R)-N-(1,3-dihydroxy-2-methylpropan-2-yl)oxolane-2-carboxamide
CID 104856124
N-(2-amino-2-ethylbutyl)oxolane-2-carboxamide;hydrochloride
CID 119261227

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)oxane-2-carboxamide?
The IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)oxane-2-carboxamide (CID 66169153) is N-(2,3-dihydroxy-2-methylpropyl)oxane-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydroxy-2-methylpropyl)oxane-2-carboxamide?
The canonical SMILES for N-(2,3-dihydroxy-2-methylpropyl)oxane-2-carboxamide is CC(O)(CO)CNC(=O)C1CCCCO1.
What is the InChIKey of N-(2,3-dihydroxy-2-methylpropyl)oxane-2-carboxamide?
The InChIKey is UBQKKULWUJDWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-10(14,7-12)6-11-9(13)8-4-2-3-5-15-8/h8,12,14H,2-7H2,1H3,(H,11,13).
What are the key properties of N-(2,3-dihydroxy-2-methylpropyl)oxane-2-carboxamide?
N-(2,3-dihydroxy-2-methylpropyl)oxane-2-carboxamide has a molecular weight of 217.26 g/mol, XLogP of -0.58, 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)oxane-2-carboxamide is sourced from PubChem (CID 66169153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).