2-cyano-N-[(2R)-1-hydroxypropan-2-yl]pentanamide

C9H16N2O2 — CID 107860521

IUPAC2-cyano-N-[(2R)-1-hydroxypropan-2-yl]pentanamide
SMILESCCCC(C#N)C(=O)N[C@H](C)CO
InChIInChI=1S/C9H16N2O2/c1-3-4-8(5-10)9(13)11-7(2)6-12/h7-8,12H,3-4,6H2,1-2H3,(H,11,13)/t7-,8?/m1/s1
InChIKeyKLPJKVOXEMDKBN-GVHYBUMESA-N
MW184.24 g/mol
LogP0.42
Rot. Bonds5

About 2-cyano-N-[(2R)-1-hydroxypropan-2-yl]pentanamide

2-cyano-N-[(2R)-1-hydroxypropan-2-yl]pentanamide (PubChem CID 107860521) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-cyano-N-[(2R)-1-hydroxypropan-2-yl]pentanamide.

Molecular Properties

Compound Name2-cyano-N-[(2R)-1-hydroxypropan-2-yl]pentanamide
PubChem CID107860521
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name2-cyano-N-[(2R)-1-hydroxypropan-2-yl]pentanamide
SMILESCCCC(C#N)C(=O)N[C@H](C)CO
InChIInChI=1S/C9H16N2O2/c1-3-4-8(5-10)9(13)11-7(2)6-12/h7-8,12H,3-4,6H2,1-2H3,(H,11,13)/t7-,8?/m1/s1
InChIKeyKLPJKVOXEMDKBN-GVHYBUMESA-N
XLogP0.42
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[1-(dimethylamino)propan-2-yl]pentanamide
CID 82938971
2-cyano-N-(3-hydroxy-2-methylpropyl)pentanamide
CID 65036419
2-cyano-N-hexan-2-ylbutanamide
CID 62199313
2-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]pentanamide
CID 107863374
2-cyano-N-(2,3,3-trimethylbutyl)pentanamide
CID 83141331
2-cyano-N-[2-(2-hydroxyethyl)pentyl]pentanamide
CID 106116827
2-cyano-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pentanamide
CID 79236986
2-cyano-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide
CID 106213470
2-cyano-N-(2-methoxyethoxy)pentanamide
CID 107857047
2-cyano-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pentanamide
CID 114182407
N-(1-cyanopropan-2-yl)-2-methylpentanamide
CID 62094798
3-amino-N-[(2R)-1-hydroxypropan-2-yl]-2-methylpropanamide
CID 107218503

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(2R)-1-hydroxypropan-2-yl]pentanamide?
The IUPAC name of 2-cyano-N-[(2R)-1-hydroxypropan-2-yl]pentanamide (CID 107860521) is 2-cyano-N-[(2R)-1-hydroxypropan-2-yl]pentanamide.
What is the SMILES notation for 2-cyano-N-[(2R)-1-hydroxypropan-2-yl]pentanamide?
The canonical SMILES for 2-cyano-N-[(2R)-1-hydroxypropan-2-yl]pentanamide is CCCC(C#N)C(=O)N[C@H](C)CO.
What is the InChIKey of 2-cyano-N-[(2R)-1-hydroxypropan-2-yl]pentanamide?
The InChIKey is KLPJKVOXEMDKBN-GVHYBUMESA-N. The full InChI is InChI=1S/C9H16N2O2/c1-3-4-8(5-10)9(13)11-7(2)6-12/h7-8,12H,3-4,6H2,1-2H3,(H,11,13)/t7-,8?/m1/s1.
What are the key properties of 2-cyano-N-[(2R)-1-hydroxypropan-2-yl]pentanamide?
2-cyano-N-[(2R)-1-hydroxypropan-2-yl]pentanamide has a molecular weight of 184.24 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(2R)-1-hydroxypropan-2-yl]pentanamide is sourced from PubChem (CID 107860521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).