2-[(2-amino-2-oxoethyl)-nitrosoamino]acetamide

C4H8N4O3 — CID 172967660

IUPAC2-[(2-amino-2-oxoethyl)-nitrosoamino]acetamide
SMILESNC(=O)CN(CC(N)=O)N=O
InChIInChI=1S/C4H8N4O3/c5-3(9)1-8(7-11)2-4(6)10/h1-2H2,(H2,5,9)(H2,6,10)
InChIKeyVQPCVLLSYGAGBE-UHFFFAOYSA-N
MW160.13 g/mol
LogP-2.06
Rot. Bonds5

About 2-[(2-amino-2-oxoethyl)-nitrosoamino]acetamide

2-[(2-amino-2-oxoethyl)-nitrosoamino]acetamide (PubChem CID 172967660) has the molecular formula C4H8N4O3 and a molecular weight of 160.13 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-nitrosoamino]acetamide.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-nitrosoamino]acetamide
PubChem CID172967660
Molecular FormulaC4H8N4O3
Molecular Weight160.13 g/mol
Exact Mass160.06
IUPAC Name2-[(2-amino-2-oxoethyl)-nitrosoamino]acetamide
SMILESNC(=O)CN(CC(N)=O)N=O
InChIInChI=1S/C4H8N4O3/c5-3(9)1-8(7-11)2-4(6)10/h1-2H2,(H2,5,9)(H2,6,10)
InChIKeyVQPCVLLSYGAGBE-UHFFFAOYSA-N
XLogP-2.06
TPSA118.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.13
LogP ≤ 5-2.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[ethyl(nitroso)amino]propanamide
CID 172967454
1-[[carbamoyl(nitroso)amino]methyl]-1-nitrosourea
CID 172967542
N-(2-hydroxyethyl)-N-(2-oxopropyl)nitrous amide
CID 3794522
2-[bis[2-[bis(2-amino-2-oxoethyl)amino]ethyl]amino]acetamide
CID 10134862
2-[[cyclohexyl(methyl)amino]-nitrosoamino]acetamide
CID 54018286
N-(2,3-dihydroxypropyl)-N-(2-oxopropyl)nitrous amide
CID 3792964
2-[[2-hydroxyethyl(prop-2-enyl)amino]-nitrosoamino]acetamide
CID 54357816
2-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]ethyl-(2-nitrosoethyl)amino]acetic acid
CID 139393080
2-[bis(2-hydroxyethyl)amino]acetamide;dihydrochloride
CID 18671967
1-ethyl-1-nitrosourea
CID 159023173
2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]propanoic acid
CID 122536186
(2S)-2-amino-N-(2-amino-2-oxoethyl)-N-methylbutanamide
CID 79025132

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-nitrosoamino]acetamide?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-nitrosoamino]acetamide (CID 172967660) is 2-[(2-amino-2-oxoethyl)-nitrosoamino]acetamide.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-nitrosoamino]acetamide?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-nitrosoamino]acetamide is NC(=O)CN(CC(N)=O)N=O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-nitrosoamino]acetamide?
The InChIKey is VQPCVLLSYGAGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O3/c5-3(9)1-8(7-11)2-4(6)10/h1-2H2,(H2,5,9)(H2,6,10).
What are the key properties of 2-[(2-amino-2-oxoethyl)-nitrosoamino]acetamide?
2-[(2-amino-2-oxoethyl)-nitrosoamino]acetamide has a molecular weight of 160.13 g/mol, XLogP of -2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-nitrosoamino]acetamide is sourced from PubChem (CID 172967660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).