N-[(1R)-1-cyanoethyl]-2-(dimethylamino)acetamide

C7H13N3O — CID 131089479

IUPACN-[(1R)-1-cyanoethyl]-2-(dimethylamino)acetamide
SMILESC[C@H](C#N)NC(=O)CN(C)C
InChIInChI=1S/C7H13N3O/c1-6(4-8)9-7(11)5-10(2)3/h6H,5H2,1-3H3,(H,9,11)/t6-/m1/s1
InChIKeyQIQCGURNVWNDCM-ZCFIWIBFSA-N
MW155.20 g/mol
LogP-0.42
Rot. Bonds3

About N-[(1R)-1-cyanoethyl]-2-(dimethylamino)acetamide

N-[(1R)-1-cyanoethyl]-2-(dimethylamino)acetamide (PubChem CID 131089479) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is N-[(1R)-1-cyanoethyl]-2-(dimethylamino)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-cyanoethyl]-2-(dimethylamino)acetamide
PubChem CID131089479
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC NameN-[(1R)-1-cyanoethyl]-2-(dimethylamino)acetamide
SMILESC[C@H](C#N)NC(=O)CN(C)C
InChIInChI=1S/C7H13N3O/c1-6(4-8)9-7(11)5-10(2)3/h6H,5H2,1-3H3,(H,9,11)/t6-/m1/s1
InChIKeyQIQCGURNVWNDCM-ZCFIWIBFSA-N
XLogP-0.42
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanoethyl)butanamide
CID 61120062
N-(1-cyanoethyl)-2-methylsulfonylacetamide
CID 62399547
2-[1-cyanoethyl(methyl)amino]-N-propan-2-ylacetamide
CID 60670289
1-cyanoethylurea
CID 61124202
N-(1-cyanoethyl)-2-phenylacetamide
CID 61120840
N-(1-cyanoethyl)-3-methoxy-3-methylbutanamide
CID 103020102
2-[1-cyanoethyl(methyl)amino]-N-pentan-3-ylacetamide
CID 55207660
methyl N-[(1S)-1-cyanoethyl]carbamate
CID 130636664
2-[cyanomethyl(methyl)amino]-N-propan-2-ylacetamide
CID 60677035
N-(1-cyanoethyl)-4-ethoxybutanamide
CID 78989500
2-(dimethylamino)-N-(2-methylpropyl)acetamide
CID 20735570
2-[1-cyanobutan-2-yl(methyl)amino]-N-propan-2-ylacetamide
CID 55208590

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyanoethyl]-2-(dimethylamino)acetamide?
The IUPAC name of N-[(1R)-1-cyanoethyl]-2-(dimethylamino)acetamide (CID 131089479) is N-[(1R)-1-cyanoethyl]-2-(dimethylamino)acetamide.
What is the SMILES notation for N-[(1R)-1-cyanoethyl]-2-(dimethylamino)acetamide?
The canonical SMILES for N-[(1R)-1-cyanoethyl]-2-(dimethylamino)acetamide is C[C@H](C#N)NC(=O)CN(C)C.
What is the InChIKey of N-[(1R)-1-cyanoethyl]-2-(dimethylamino)acetamide?
The InChIKey is QIQCGURNVWNDCM-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13N3O/c1-6(4-8)9-7(11)5-10(2)3/h6H,5H2,1-3H3,(H,9,11)/t6-/m1/s1.
What are the key properties of N-[(1R)-1-cyanoethyl]-2-(dimethylamino)acetamide?
N-[(1R)-1-cyanoethyl]-2-(dimethylamino)acetamide has a molecular weight of 155.20 g/mol, XLogP of -0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyanoethyl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 131089479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).