N-(cyanomethyl)-2-formamidoacetamide

C5H7N3O2 — CID 143975878

IUPACN-(cyanomethyl)-2-formamidoacetamide
SMILESN#CCNC(=O)CNC=O
InChIInChI=1S/C5H7N3O2/c6-1-2-8-5(10)3-7-4-9/h4H,2-3H2,(H,7,9)(H,8,10)
InChIKeyIIDMXRDLMQQWTI-UHFFFAOYSA-N
MW141.13 g/mol
LogP-1.63
Rot. Bonds4

About N-(cyanomethyl)-2-formamidoacetamide

N-(cyanomethyl)-2-formamidoacetamide (PubChem CID 143975878) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is N-(cyanomethyl)-2-formamidoacetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-formamidoacetamide
PubChem CID143975878
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC NameN-(cyanomethyl)-2-formamidoacetamide
SMILESN#CCNC(=O)CNC=O
InChIInChI=1S/C5H7N3O2/c6-1-2-8-5(10)3-7-4-9/h4H,2-3H2,(H,7,9)(H,8,10)
InChIKeyIIDMXRDLMQQWTI-UHFFFAOYSA-N
XLogP-1.63
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-1.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-formamidoacetamide
CID 14481878
N-(cyanomethyl)-2-(cyclopropylmethylamino)acetamide
CID 28566856
2-formamido-N-[2-(methoxymethylamino)-2-oxoethyl]acetamide
CID 170751982
2-formamido-N-[2-(methylamino)ethyl]acetamide
CID 144693506
methyl 3-[(2-formamidoacetyl)amino]propanoate
CID 127519438
2-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(cyanomethyl)acetamide
CID 115356626
N-(cyanomethyl)-2-(3-methoxypropylamino)acetamide
CID 43153290
N-(cyanomethyl)-2-(2-methoxypropylamino)acetamide
CID 102698102
N-(cyanomethyl)-2-(2-methylsulfonylethylamino)acetamide
CID 60918929
N-(ethoxymethyl)-2-formamidoacetamide
CID 144895725
ethane;2-formamido-N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide;molecular hydrogen
CID 169185190
N-(cyanomethyl)-2-(3-methylsulfanylpropylamino)acetamide
CID 63964920

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-formamidoacetamide?
The IUPAC name of N-(cyanomethyl)-2-formamidoacetamide (CID 143975878) is N-(cyanomethyl)-2-formamidoacetamide.
What is the SMILES notation for N-(cyanomethyl)-2-formamidoacetamide?
The canonical SMILES for N-(cyanomethyl)-2-formamidoacetamide is N#CCNC(=O)CNC=O.
What is the InChIKey of N-(cyanomethyl)-2-formamidoacetamide?
The InChIKey is IIDMXRDLMQQWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c6-1-2-8-5(10)3-7-4-9/h4H,2-3H2,(H,7,9)(H,8,10).
What are the key properties of N-(cyanomethyl)-2-formamidoacetamide?
N-(cyanomethyl)-2-formamidoacetamide has a molecular weight of 141.13 g/mol, XLogP of -1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-formamidoacetamide is sourced from PubChem (CID 143975878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).