(2R)-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-2-carboxamide

C11H19NO4 — CID 104630614

IUPAC(2R)-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-2-carboxamide
SMILESO=C(NC1(CO)CCOCC1)[C@H]1CCCO1
InChIInChI=1S/C11H19NO4/c13-8-11(3-6-15-7-4-11)12-10(14)9-2-1-5-16-9/h9,13H,1-8H2,(H,12,14)/t9-/m1/s1
InChIKeyZLQCOXUHAGXRAA-SECBINFHSA-N
MW229.28 g/mol
LogP-0.18
Rot. Bonds3

About (2R)-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-2-carboxamide

(2R)-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-2-carboxamide (PubChem CID 104630614) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is (2R)-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-2-carboxamide
PubChem CID104630614
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name(2R)-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-2-carboxamide
SMILESO=C(NC1(CO)CCOCC1)[C@H]1CCCO1
InChIInChI=1S/C11H19NO4/c13-8-11(3-6-15-7-4-11)12-10(14)9-2-1-5-16-9/h9,13H,1-8H2,(H,12,14)/t9-/m1/s1
InChIKeyZLQCOXUHAGXRAA-SECBINFHSA-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

(2S)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]oxolane-2-carboxamide
CID 94468705
2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 106296956
4-amino-N-[4-(hydroxymethyl)oxan-4-yl]cyclohexane-1-carboxamide
CID 106298573
[4-(hydroxymethyl)oxan-4-yl]carbamic acid
CID 68806059
N-[4-(hydroxymethyl)oxan-4-yl]-1-methylpyrrolidine-2-carboxamide
CID 136531054
N-[4-(hydroxymethyl)oxan-4-yl]thiolane-3-carboxamide
CID 104630422
N-[1-(bromomethyl)-3-methylcyclohexyl]oxolane-2-carboxamide
CID 114314670
2-cyclopropyl-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 104630587
N-(7-oxaspiro[3.5]nonan-3-yl)oxolane-2-carboxamide
CID 122276279
1-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]piperidine-4-carboxamide
CID 104630361
4-ethyl-1-[[(2S)-oxolane-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 93298114
N-[1-(aminomethyl)-4-methylcyclohexyl]oxane-2-carboxamide
CID 63767807

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-2-carboxamide (CID 104630614) is (2R)-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-2-carboxamide is O=C(NC1(CO)CCOCC1)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-2-carboxamide?
The InChIKey is ZLQCOXUHAGXRAA-SECBINFHSA-N. The full InChI is InChI=1S/C11H19NO4/c13-8-11(3-6-15-7-4-11)12-10(14)9-2-1-5-16-9/h9,13H,1-8H2,(H,12,14)/t9-/m1/s1.
What are the key properties of (2R)-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-2-carboxamide?
(2R)-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-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 (2R)-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-2-carboxamide is sourced from PubChem (CID 104630614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).