(2R)-N-(2-cyano-2-methylpropyl)-2-hydroxypropanamide

C8H14N2O2 — CID 131203487

IUPAC(2R)-N-(2-cyano-2-methylpropyl)-2-hydroxypropanamide
SMILESC[C@@H](O)C(=O)NCC(C)(C)C#N
InChIInChI=1S/C8H14N2O2/c1-6(11)7(12)10-5-8(2,3)4-9/h6,11H,5H2,1-3H3,(H,10,12)/t6-/m1/s1
InChIKeyJFJITTADHXFUPJ-ZCFIWIBFSA-N
MW170.21 g/mol
LogP0.03
Rot. Bonds3

About (2R)-N-(2-cyano-2-methylpropyl)-2-hydroxypropanamide

(2R)-N-(2-cyano-2-methylpropyl)-2-hydroxypropanamide (PubChem CID 131203487) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is (2R)-N-(2-cyano-2-methylpropyl)-2-hydroxypropanamide.

Molecular Properties

Compound Name(2R)-N-(2-cyano-2-methylpropyl)-2-hydroxypropanamide
PubChem CID131203487
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name(2R)-N-(2-cyano-2-methylpropyl)-2-hydroxypropanamide
SMILESC[C@@H](O)C(=O)NCC(C)(C)C#N
InChIInChI=1S/C8H14N2O2/c1-6(11)7(12)10-5-8(2,3)4-9/h6,11H,5H2,1-3H3,(H,10,12)/t6-/m1/s1
InChIKeyJFJITTADHXFUPJ-ZCFIWIBFSA-N
XLogP0.03
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-hydroxy-N-(2-hydroxy-2-methylpropyl)propanamide
CID 131159624
N-(2-cyano-2-methylpropyl)-2-hydroxy-2-phenylacetamide
CID 113372748
N-(2-cyano-2-methylpropyl)but-2-ynamide
CID 130621104
N-(2-cyano-3,3-dimethylbutan-2-yl)-2-hydroxypropanamide
CID 139881772
3-bromo-N-(2-cyano-2-methylpropyl)prop-2-ynamide
CID 131080968
N-(2-cyano-3-methylbutan-2-yl)-2-hydroxypropanamide
CID 18700272
5-bromo-N-(2-cyano-2-methylpropyl)pentanamide
CID 107910644
2-cyano-N-(2,2-difluoropropyl)propanamide
CID 143242049
tert-butyl 2-(2-hydroxypropanoylamino)acetate
CID 169085959
tert-butyl N-[2-[[(2R)-2-hydroxypropanoyl]amino]ethyl]carbamate
CID 134128297
2,2,5-trimethyl-4-oxohexanenitrile
CID 142310982
methyl 2-[[(2S)-2-hydroxypropanoyl]amino]acetate
CID 11041006

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-cyano-2-methylpropyl)-2-hydroxypropanamide?
The IUPAC name of (2R)-N-(2-cyano-2-methylpropyl)-2-hydroxypropanamide (CID 131203487) is (2R)-N-(2-cyano-2-methylpropyl)-2-hydroxypropanamide.
What is the SMILES notation for (2R)-N-(2-cyano-2-methylpropyl)-2-hydroxypropanamide?
The canonical SMILES for (2R)-N-(2-cyano-2-methylpropyl)-2-hydroxypropanamide is C[C@@H](O)C(=O)NCC(C)(C)C#N.
What is the InChIKey of (2R)-N-(2-cyano-2-methylpropyl)-2-hydroxypropanamide?
The InChIKey is JFJITTADHXFUPJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-6(11)7(12)10-5-8(2,3)4-9/h6,11H,5H2,1-3H3,(H,10,12)/t6-/m1/s1.
What are the key properties of (2R)-N-(2-cyano-2-methylpropyl)-2-hydroxypropanamide?
(2R)-N-(2-cyano-2-methylpropyl)-2-hydroxypropanamide has a molecular weight of 170.21 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-cyano-2-methylpropyl)-2-hydroxypropanamide is sourced from PubChem (CID 131203487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).