(2R)-N-(1-cyano-1-cyclopropylethyl)-2-hydroxypropanamide

C9H14N2O2 — CID 130616401

IUPAC(2R)-N-(1-cyano-1-cyclopropylethyl)-2-hydroxypropanamide
SMILESC[C@@H](O)C(=O)NC(C)(C#N)C1CC1
InChIInChI=1S/C9H14N2O2/c1-6(12)8(13)11-9(2,5-10)7-3-4-7/h6-7,12H,3-4H2,1-2H3,(H,11,13)/t6-,9?/m1/s1
InChIKeyCKSNBIHFXMGZJV-VJSCVCEBSA-N
MW182.22 g/mol
LogP0.18
Rot. Bonds3

About (2R)-N-(1-cyano-1-cyclopropylethyl)-2-hydroxypropanamide

(2R)-N-(1-cyano-1-cyclopropylethyl)-2-hydroxypropanamide (PubChem CID 130616401) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is (2R)-N-(1-cyano-1-cyclopropylethyl)-2-hydroxypropanamide.

Molecular Properties

Compound Name(2R)-N-(1-cyano-1-cyclopropylethyl)-2-hydroxypropanamide
PubChem CID130616401
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name(2R)-N-(1-cyano-1-cyclopropylethyl)-2-hydroxypropanamide
SMILESC[C@@H](O)C(=O)NC(C)(C#N)C1CC1
InChIInChI=1S/C9H14N2O2/c1-6(12)8(13)11-9(2,5-10)7-3-4-7/h6-7,12H,3-4H2,1-2H3,(H,11,13)/t6-,9?/m1/s1
InChIKeyCKSNBIHFXMGZJV-VJSCVCEBSA-N
XLogP0.18
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-Cyano-1,2-dimethylpropyl)-2-hydroxypropanamide
CID 18700272
N-(1-cyanocyclopropyl)-2-hydroxypropanamide
CID 89563725
N-(2-cyano-3,3-dimethylbutan-2-yl)-2-hydroxypropanamide
CID 139881772
N-(1-cyano-1-cyclopropylethyl)-2-hydroxyacetamide
CID 43558923
N-(2-cyano-3-methylbutan-2-yl)-2-hydroxyacetamide
CID 43558924
(2S)-N-(1-cyanocyclobutyl)-2-hydroxypropanamide
CID 128014898
(2R)-N-(1-cyanocyclopentyl)-2-hydroxypropanamide
CID 130615854
(2S)-N-(2-cyanopropan-2-yl)-2-hydroxy-3-methylbutanamide
CID 130652140
(2R)-N-(1-cyano-2,2-dimethylcyclopropyl)-2-hydroxypropanamide
CID 130652198
(2S)-N-(1-cyanocyclopropyl)-2-hydroxy-3-methylbutanamide
CID 130668795
(2R)-N-(2-cyanobutan-2-yl)-2-hydroxypropanamide
CID 130677348
(2R)-N-(1-cyanocyclopropyl)-2-hydroxypropanamide
CID 130710384

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-cyano-1-cyclopropylethyl)-2-hydroxypropanamide?
The IUPAC name of (2R)-N-(1-cyano-1-cyclopropylethyl)-2-hydroxypropanamide (CID 130616401) is (2R)-N-(1-cyano-1-cyclopropylethyl)-2-hydroxypropanamide.
What is the SMILES notation for (2R)-N-(1-cyano-1-cyclopropylethyl)-2-hydroxypropanamide?
The canonical SMILES for (2R)-N-(1-cyano-1-cyclopropylethyl)-2-hydroxypropanamide is C[C@@H](O)C(=O)NC(C)(C#N)C1CC1.
What is the InChIKey of (2R)-N-(1-cyano-1-cyclopropylethyl)-2-hydroxypropanamide?
The InChIKey is CKSNBIHFXMGZJV-VJSCVCEBSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6(12)8(13)11-9(2,5-10)7-3-4-7/h6-7,12H,3-4H2,1-2H3,(H,11,13)/t6-,9?/m1/s1.
What are the key properties of (2R)-N-(1-cyano-1-cyclopropylethyl)-2-hydroxypropanamide?
(2R)-N-(1-cyano-1-cyclopropylethyl)-2-hydroxypropanamide has a molecular weight of 182.22 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-cyano-1-cyclopropylethyl)-2-hydroxypropanamide is sourced from PubChem (CID 130616401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).