N-(2-hydroxy-2-methylpropyl)oxolane-2-carboxamide

C9H17NO3 — CID 65109937

IUPACN-(2-hydroxy-2-methylpropyl)oxolane-2-carboxamide
SMILESCC(C)(O)CNC(=O)C1CCCO1
InChIInChI=1S/C9H17NO3/c1-9(2,12)6-10-8(11)7-4-3-5-13-7/h7,12H,3-6H2,1-2H3,(H,10,11)
InChIKeyXABMEAFDWHOHMU-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.05
Rot. Bonds3

About N-(2-hydroxy-2-methylpropyl)oxolane-2-carboxamide

N-(2-hydroxy-2-methylpropyl)oxolane-2-carboxamide (PubChem CID 65109937) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)oxolane-2-carboxamide
PubChem CID65109937
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC NameN-(2-hydroxy-2-methylpropyl)oxolane-2-carboxamide
SMILESCC(C)(O)CNC(=O)C1CCCO1
InChIInChI=1S/C9H17NO3/c1-9(2,12)6-10-8(11)7-4-3-5-13-7/h7,12H,3-6H2,1-2H3,(H,10,11)
InChIKeyXABMEAFDWHOHMU-UHFFFAOYSA-N
XLogP0.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(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-(2,2,2-trifluoroethyl)oxolane-2-carboxamide
CID 130652642
N-(2,3-dihydroxy-2-methylpropyl)oxane-2-carboxamide
CID 66169153
2-methyl-2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]butanoic acid
CID 104855932
N-(3-chloro-2,2-dimethylpropyl)oxane-2-carboxamide
CID 115364704
N-(2-amino-2-ethylbutyl)oxolane-2-carboxamide;hydrochloride
CID 119261227
N-(4-chloro-2,2-dimethylbutyl)oxane-2-carboxamide
CID 106142571
(2S)-N-[2-(4-bromophenyl)-2-methylpropyl]oxolane-2-carboxamide
CID 51948734
N-[2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl]oxolane-2-carboxamide
CID 108573698
(2R)-N-(methoxymethyl)oxolane-2-carboxamide
CID 68732384

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)oxolane-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)oxolane-2-carboxamide (CID 65109937) is N-(2-hydroxy-2-methylpropyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)oxolane-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)oxolane-2-carboxamide is CC(C)(O)CNC(=O)C1CCCO1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)oxolane-2-carboxamide?
The InChIKey is XABMEAFDWHOHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-9(2,12)6-10-8(11)7-4-3-5-13-7/h7,12H,3-6H2,1-2H3,(H,10,11).
What are the key properties of N-(2-hydroxy-2-methylpropyl)oxolane-2-carboxamide?
N-(2-hydroxy-2-methylpropyl)oxolane-2-carboxamide has a molecular weight of 187.24 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)oxolane-2-carboxamide is sourced from PubChem (CID 65109937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).