methyl 2-[[methyl(nitroso)carbamoyl]amino]acetate

C5H9N3O4 — CID 86113020

IUPACmethyl 2-[[methyl(nitroso)carbamoyl]amino]acetate
SMILESCOC(=O)CNC(=O)N(C)N=O
InChIInChI=1S/C5H9N3O4/c1-8(7-11)5(10)6-3-4(9)12-2/h3H2,1-2H3,(H,6,10)
InChIKeyDSWYVHACHOGHOE-UHFFFAOYSA-N
MW175.14 g/mol
LogP-0.52
Rot. Bonds3

About methyl 2-[[methyl(nitroso)carbamoyl]amino]acetate

methyl 2-[[methyl(nitroso)carbamoyl]amino]acetate (PubChem CID 86113020) has the molecular formula C5H9N3O4 and a molecular weight of 175.14 g/mol. Its IUPAC name is methyl 2-[[methyl(nitroso)carbamoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[methyl(nitroso)carbamoyl]amino]acetate
PubChem CID86113020
Molecular FormulaC5H9N3O4
Molecular Weight175.14 g/mol
Exact Mass175.06
IUPAC Namemethyl 2-[[methyl(nitroso)carbamoyl]amino]acetate
SMILESCOC(=O)CNC(=O)N(C)N=O
InChIInChI=1S/C5H9N3O4/c1-8(7-11)5(10)6-3-4(9)12-2/h3H2,1-2H3,(H,6,10)
InChIKeyDSWYVHACHOGHOE-UHFFFAOYSA-N
XLogP-0.52
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Glycine, N-carbamoyl-N-nitroso-, ethyl ester
CID 49976
N-Methoxycarbonylmethyl-N-nitrosourea
CID 135701
Methyl 2-[(2-methoxy-2-oxoethyl)carbamoylamino]acetate
CID 46197059
2-[[methyl(nitroso)carbamoyl]amino]ethyl N-methyl-N-nitrosocarbamate
CID 349918
Methyl 2-(methylcarbamoylamino)acetate
CID 13572154
Methyl 2-[carbamoyl(nitroso)amino]propanoate
CID 21122077
Methyl 2-(hydrazinecarbonylamino)acetate
CID 55286981
Methyl 2-(methoxymethylcarbamoylamino)acetate
CID 108893664
Methyl 2-[[hydroxy(methyl)carbamoyl]amino]acetate
CID 130011238
Methyl 2-(methoxycarbamoylamino)acetate
CID 131224449

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[methyl(nitroso)carbamoyl]amino]acetate?
The IUPAC name of methyl 2-[[methyl(nitroso)carbamoyl]amino]acetate (CID 86113020) is methyl 2-[[methyl(nitroso)carbamoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[methyl(nitroso)carbamoyl]amino]acetate?
The canonical SMILES for methyl 2-[[methyl(nitroso)carbamoyl]amino]acetate is COC(=O)CNC(=O)N(C)N=O.
What is the InChIKey of methyl 2-[[methyl(nitroso)carbamoyl]amino]acetate?
The InChIKey is DSWYVHACHOGHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O4/c1-8(7-11)5(10)6-3-4(9)12-2/h3H2,1-2H3,(H,6,10).
What are the key properties of methyl 2-[[methyl(nitroso)carbamoyl]amino]acetate?
methyl 2-[[methyl(nitroso)carbamoyl]amino]acetate has a molecular weight of 175.14 g/mol, XLogP of -0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[methyl(nitroso)carbamoyl]amino]acetate is sourced from PubChem (CID 86113020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).