N-[(2S)-2-cyano-1-hydroxypropan-2-yl]-2-methylpropanamide

C8H14N2O2 — CID 11423823

IUPACN-[(2S)-2-cyano-1-hydroxypropan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@@](C)(C#N)CO
InChIInChI=1S/C8H14N2O2/c1-6(2)7(12)10-8(3,4-9)5-11/h6,11H,5H2,1-3H3,(H,10,12)/t8-/m0/s1
InChIKeyWRFDFIBWWLXPBB-QMMMGPOBSA-N
MW170.21 g/mol
LogP0.03
Rot. Bonds3

About N-[(2S)-2-cyano-1-hydroxypropan-2-yl]-2-methylpropanamide

N-[(2S)-2-cyano-1-hydroxypropan-2-yl]-2-methylpropanamide (PubChem CID 11423823) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is N-[(2S)-2-cyano-1-hydroxypropan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2S)-2-cyano-1-hydroxypropan-2-yl]-2-methylpropanamide
PubChem CID11423823
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC NameN-[(2S)-2-cyano-1-hydroxypropan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@@](C)(C#N)CO
InChIInChI=1S/C8H14N2O2/c1-6(2)7(12)10-8(3,4-9)5-11/h6,11H,5H2,1-3H3,(H,10,12)/t8-/m0/s1
InChIKeyWRFDFIBWWLXPBB-QMMMGPOBSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyano-1-hydroxypropan-2-yl]-2-methylpropanamide?
The IUPAC name of N-[(2S)-2-cyano-1-hydroxypropan-2-yl]-2-methylpropanamide (CID 11423823) is N-[(2S)-2-cyano-1-hydroxypropan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(2S)-2-cyano-1-hydroxypropan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[(2S)-2-cyano-1-hydroxypropan-2-yl]-2-methylpropanamide is CC(C)C(=O)N[C@@](C)(C#N)CO.
What is the InChIKey of N-[(2S)-2-cyano-1-hydroxypropan-2-yl]-2-methylpropanamide?
The InChIKey is WRFDFIBWWLXPBB-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-6(2)7(12)10-8(3,4-9)5-11/h6,11H,5H2,1-3H3,(H,10,12)/t8-/m0/s1.
What are the key properties of N-[(2S)-2-cyano-1-hydroxypropan-2-yl]-2-methylpropanamide?
N-[(2S)-2-cyano-1-hydroxypropan-2-yl]-2-methylpropanamide 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 N-[(2S)-2-cyano-1-hydroxypropan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 11423823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).