N-(3-hydroxy-2-methylpropyl)oxolane-2-carboxamide

C9H17NO3 — CID 65037062

IUPACN-(3-hydroxy-2-methylpropyl)oxolane-2-carboxamide
SMILESCC(CO)CNC(=O)C1CCCO1
InChIInChI=1S/C9H17NO3/c1-7(6-11)5-10-9(12)8-3-2-4-13-8/h7-8,11H,2-6H2,1H3,(H,10,12)
InChIKeyZYYRTEMUYGJKKU-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.09
Rot. Bonds4

About N-(3-hydroxy-2-methylpropyl)oxolane-2-carboxamide

N-(3-hydroxy-2-methylpropyl)oxolane-2-carboxamide (PubChem CID 65037062) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylpropyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylpropyl)oxolane-2-carboxamide
PubChem CID65037062
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC NameN-(3-hydroxy-2-methylpropyl)oxolane-2-carboxamide
SMILESCC(CO)CNC(=O)C1CCCO1
InChIInChI=1S/C9H17NO3/c1-7(6-11)5-10-9(12)8-3-2-4-13-8/h7-8,11H,2-6H2,1H3,(H,10,12)
InChIKeyZYYRTEMUYGJKKU-UHFFFAOYSA-N
XLogP-0.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[2-methyl-3-(methylamino)propyl]oxolane-2-carboxamide
CID 104856434
2-methyl-3-(oxolane-2-carbonylamino)propanoic acid
CID 53211445
2-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]propanoic acid
CID 104855649
N-[(2R)-2-hydroxypropyl]oxolane-2-carboxamide
CID 83031393
N-(2-hydroxypropyl)oxolane-2-carboxamide
CID 43392747
(2R)-N-(5-hydroxy-4-methylpentyl)oxolane-2-carboxamide
CID 103861771
(2S)-N-(2-hydroxy-4-methylpentyl)oxolane-2-carboxamide
CID 103873933
(2R)-N-(2-hydroxy-4-methylpentyl)oxolane-2-carboxamide
CID 103850592
N-[(2S)-2-amino-4-methylpentyl]oxolane-2-carboxamide
CID 70906725
(2R)-N-[(2S)-1-hydroxypropan-2-yl]oxolane-2-carboxamide
CID 39236427
2-methylpropane-1,3-diol;oxolane-2-carboxylic acid
CID 159609797
4-methyl-2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]pentanoic acid
CID 104855855

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylpropyl)oxolane-2-carboxamide?
The IUPAC name of N-(3-hydroxy-2-methylpropyl)oxolane-2-carboxamide (CID 65037062) is N-(3-hydroxy-2-methylpropyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2-methylpropyl)oxolane-2-carboxamide?
The canonical SMILES for N-(3-hydroxy-2-methylpropyl)oxolane-2-carboxamide is CC(CO)CNC(=O)C1CCCO1.
What is the InChIKey of N-(3-hydroxy-2-methylpropyl)oxolane-2-carboxamide?
The InChIKey is ZYYRTEMUYGJKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7(6-11)5-10-9(12)8-3-2-4-13-8/h7-8,11H,2-6H2,1H3,(H,10,12).
What are the key properties of N-(3-hydroxy-2-methylpropyl)oxolane-2-carboxamide?
N-(3-hydroxy-2-methylpropyl)oxolane-2-carboxamide has a molecular weight of 187.24 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylpropyl)oxolane-2-carboxamide is sourced from PubChem (CID 65037062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).