N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide

C11H19NO4 — CID 107301644

IUPACN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide
SMILESCC1OCCC1(O)CNC(=O)C1CCOC1
InChIInChI=1S/C11H19NO4/c1-8-11(14,3-5-16-8)7-12-10(13)9-2-4-15-6-9/h8-9,14H,2-7H2,1H3,(H,12,13)
InChIKeyNUXYNUHCNSATPF-UHFFFAOYSA-N
MW229.28 g/mol
LogP-0.32
Rot. Bonds3

About N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide

N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide (PubChem CID 107301644) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide
PubChem CID107301644
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC NameN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide
SMILESCC1OCCC1(O)CNC(=O)C1CCOC1
InChIInChI=1S/C11H19NO4/c1-8-11(14,3-5-16-8)7-12-10(13)9-2-4-15-6-9/h8-9,14H,2-7H2,1H3,(H,12,13)
InChIKeyNUXYNUHCNSATPF-UHFFFAOYSA-N
XLogP-0.32
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide
CID 106101708
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107302191
N-[(4-hydroxyoxan-4-yl)methyl]oxolane-3-carboxamide
CID 79039521
5-[(3-hydroxy-2-methyloxolan-3-yl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 106099783
4-(ethylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide
CID 106101684
3-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
CID 106100304
(3S)-N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]oxolane-3-carboxamide
CID 95325025
3-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,1-dimethylurea
CID 107268631
N-[[1-(chloromethyl)cyclohexyl]methyl]oxolane-3-carboxamide
CID 103969555
methyl 4-hydroxy-4-[(oxolane-3-carbonylamino)methyl]cyclohexane-1-carboxylate
CID 112535165
2-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide
CID 106101649
2-(aminomethyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclopentane-1-carboxamide
CID 106101785

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide?
The IUPAC name of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide (CID 107301644) is N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide?
The canonical SMILES for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide is CC1OCCC1(O)CNC(=O)C1CCOC1.
What is the InChIKey of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide?
The InChIKey is NUXYNUHCNSATPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-8-11(14,3-5-16-8)7-12-10(13)9-2-4-15-6-9/h8-9,14H,2-7H2,1H3,(H,12,13).
What are the key properties of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide?
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide has a molecular weight of 229.28 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]oxolane-3-carboxamide is sourced from PubChem (CID 107301644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).