N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyloxolane-2-carboxamide

C11H19NO4 — CID 103849502

IUPACN-[(3-hydroxyoxolan-3-yl)methyl]-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)NCC2(O)CCOC2)O1
InChIInChI=1S/C11H19NO4/c1-8-2-3-9(16-8)10(13)12-6-11(14)4-5-15-7-11/h8-9,14H,2-7H2,1H3,(H,12,13)
InChIKeyMPOKGVROKRQENZ-UHFFFAOYSA-N
MW229.28 g/mol
LogP-0.18
Rot. Bonds3

About N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyloxolane-2-carboxamide

N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyloxolane-2-carboxamide (PubChem CID 103849502) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxyoxolan-3-yl)methyl]-5-methyloxolane-2-carboxamide
PubChem CID103849502
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC NameN-[(3-hydroxyoxolan-3-yl)methyl]-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)NCC2(O)CCOC2)O1
InChIInChI=1S/C11H19NO4/c1-8-2-3-9(16-8)10(13)12-6-11(14)4-5-15-7-11/h8-9,14H,2-7H2,1H3,(H,12,13)
InChIKeyMPOKGVROKRQENZ-UHFFFAOYSA-N
XLogP-0.18
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 ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 57693188
CID 57693188
CID 57693436
CID 57693436
CID 57693487
CID 57693487
(2S,3R,5S)-N-hexyl-3,4-dihydroxy-5-methyloxolane-2-carboxamide
CID 70795454
(2S,5S)-N-hexyl-3,4-dihydroxy-5-methyloxolane-2-carboxamide
CID 70798969
(2S,3R,5S)-N-ethyl-3,4-dihydroxy-5-methyloxolane-2-carboxamide
CID 88976567
(2S,4R,5S)-3,4-dihydroxy-2-methyl-1-oxa-7-azaspiro[4.4]nonan-6-one
CID 88976596
(2S,5S)-N-ethyl-3,4-dihydroxy-5-methyloxolane-2-carboxamide
CID 88980079
(2R,3R,4R,5R)-2,3,4-trihydroxy-5-methyl-N-(2-methylpropyl)oxolane-2-carboxamide
CID 143865013
(2S,3S,4R,5S)-3,4-dihydroxy-2-methyl-1-oxa-7-azaspiro[4.4]nonan-6-one
CID 163620049
(2S,3R)-3-hydroxy-N-[2-[(2S)-2-(hydroxymethyl)oxolan-3-yl]ethyl]oxolane-2-carboxamide
CID 173773386
(1R,5R,6S,7S,8R,12R,13S,14S)-6,7,13,14-tetrahydroxy-15,16-dioxa-3,10-diazatricyclo[10.2.1.15,8]hexadecane-2,9-dione
CID 11001653

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyloxolane-2-carboxamide?
The IUPAC name of N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyloxolane-2-carboxamide (CID 103849502) is N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyloxolane-2-carboxamide.
What is the SMILES notation for N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyloxolane-2-carboxamide?
The canonical SMILES for N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyloxolane-2-carboxamide is CC1CCC(C(=O)NCC2(O)CCOC2)O1.
What is the InChIKey of N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyloxolane-2-carboxamide?
The InChIKey is MPOKGVROKRQENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-8-2-3-9(16-8)10(13)12-6-11(14)4-5-15-7-11/h8-9,14H,2-7H2,1H3,(H,12,13).
What are the key properties of N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyloxolane-2-carboxamide?
N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyloxolane-2-carboxamide has a molecular weight of 229.28 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyloxolane-2-carboxamide is sourced from PubChem (CID 103849502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).