(2S)-N-(3-cyanooxolan-3-yl)-2-hydroxypropanamide

C8H12N2O3 — CID 130616504

IUPAC(2S)-N-(3-cyanooxolan-3-yl)-2-hydroxypropanamide
SMILESC[C@H](O)C(=O)NC1(C#N)CCOC1
InChIInChI=1S/C8H12N2O3/c1-6(11)7(12)10-8(4-9)2-3-13-5-8/h6,11H,2-3,5H2,1H3,(H,10,12)/t6-,8?/m0/s1
InChIKeyVVIXUADSWHMHHM-UUEFVBAFSA-N
MW184.19 g/mol
LogP-0.83
Rot. Bonds2

About (2S)-N-(3-cyanooxolan-3-yl)-2-hydroxypropanamide

(2S)-N-(3-cyanooxolan-3-yl)-2-hydroxypropanamide (PubChem CID 130616504) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is (2S)-N-(3-cyanooxolan-3-yl)-2-hydroxypropanamide.

Molecular Properties

Compound Name(2S)-N-(3-cyanooxolan-3-yl)-2-hydroxypropanamide
PubChem CID130616504
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name(2S)-N-(3-cyanooxolan-3-yl)-2-hydroxypropanamide
SMILESC[C@H](O)C(=O)NC1(C#N)CCOC1
InChIInChI=1S/C8H12N2O3/c1-6(11)7(12)10-8(4-9)2-3-13-5-8/h6,11H,2-3,5H2,1H3,(H,10,12)/t6-,8?/m0/s1
InChIKeyVVIXUADSWHMHHM-UUEFVBAFSA-N
XLogP-0.83
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(3-cyanooxolan-3-yl)formamide
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N-(1-cyanocyclopropyl)-2-fluoro-3-methylbutanamide
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2-bromo-N-(1-cyanocycloheptyl)propanamide
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N-(1-cyanocyclohexyl)-2-methoxypropanamide
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3-(2-methoxyethylamino)oxolane-3-carbonitrile
CID 63335677
(3R)-3-propan-2-yloxolane-3-carbonitrile
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[1-[(4-cyano-1-methylpiperidin-4-yl)amino]-4-methyl-1-oxopentan-2-yl] morpholine-4-carboxylate
CID 23589459
(2S)-N-(1-cyanocyclohexyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propanamide
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2-bromo-N-(4-cyanooxan-4-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-cyanooxolan-3-yl)-2-hydroxypropanamide?
The IUPAC name of (2S)-N-(3-cyanooxolan-3-yl)-2-hydroxypropanamide (CID 130616504) is (2S)-N-(3-cyanooxolan-3-yl)-2-hydroxypropanamide.
What is the SMILES notation for (2S)-N-(3-cyanooxolan-3-yl)-2-hydroxypropanamide?
The canonical SMILES for (2S)-N-(3-cyanooxolan-3-yl)-2-hydroxypropanamide is C[C@H](O)C(=O)NC1(C#N)CCOC1.
What is the InChIKey of (2S)-N-(3-cyanooxolan-3-yl)-2-hydroxypropanamide?
The InChIKey is VVIXUADSWHMHHM-UUEFVBAFSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-6(11)7(12)10-8(4-9)2-3-13-5-8/h6,11H,2-3,5H2,1H3,(H,10,12)/t6-,8?/m0/s1.
What are the key properties of (2S)-N-(3-cyanooxolan-3-yl)-2-hydroxypropanamide?
(2S)-N-(3-cyanooxolan-3-yl)-2-hydroxypropanamide has a molecular weight of 184.19 g/mol, XLogP of -0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-cyanooxolan-3-yl)-2-hydroxypropanamide is sourced from PubChem (CID 130616504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).