N-(2-formamidoethyl)-2-(methyliminomethylamino)oxyacetamide

C7H14N4O3 — CID 142470512

IUPACN-(2-formamidoethyl)-2-(methyliminomethylamino)oxyacetamide
SMILESC/N=C/NOCC(=O)NCCNC=O
InChIInChI=1S/C7H14N4O3/c1-8-5-11-14-4-7(13)10-3-2-9-6-12/h5-6H,2-4H2,1H3,(H,8,11)(H,9,12)(H,10,13)
InChIKeyFSENOUVLIBKVGY-UHFFFAOYSA-N
MW202.21 g/mol
LogP-1.97
Rot. Bonds8

About N-(2-formamidoethyl)-2-(methyliminomethylamino)oxyacetamide

N-(2-formamidoethyl)-2-(methyliminomethylamino)oxyacetamide (PubChem CID 142470512) has the molecular formula C7H14N4O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is N-(2-formamidoethyl)-2-(methyliminomethylamino)oxyacetamide.

Molecular Properties

Compound NameN-(2-formamidoethyl)-2-(methyliminomethylamino)oxyacetamide
PubChem CID142470512
Molecular FormulaC7H14N4O3
Molecular Weight202.21 g/mol
Exact Mass202.11
IUPAC NameN-(2-formamidoethyl)-2-(methyliminomethylamino)oxyacetamide
SMILESC/N=C/NOCC(=O)NCCNC=O
InChIInChI=1S/C7H14N4O3/c1-8-5-11-14-4-7(13)10-3-2-9-6-12/h5-6H,2-4H2,1H3,(H,8,11)(H,9,12)(H,10,13)
InChIKeyFSENOUVLIBKVGY-UHFFFAOYSA-N
XLogP-1.97
TPSA91.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-1.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(methyliminomethylamino)oxyacetyl]amino]ethyl carbamate
CID 175942275
2-ethoxy-N-(3-formamidopropyl)acetamide
CID 155439472
2-bromo-N-(3-formamidopropyl)acetamide
CID 122608311
N-(5-formamidopentyl)-2-propan-2-yloxyacetamide
CID 155740899
N-[2-[[(Z)-but-2-en-2-yl]amino]ethyl]formamide
CID 156718256
2-formamido-N-[2-(methylamino)ethyl]acetamide
CID 144693506
N-(2-oxopropoxy)formamide
CID 174709773
methyl 3-[(2-formamidoacetyl)amino]propanoate
CID 127519438
2-(3-formamidopropanoylamino)acetic acid
CID 118070354
N-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]-4-oxopentanamide
CID 170054090
N-[2-(2-formamidoethylamino)ethyl]formamide
CID 89321401
N-[3-[2-[2-(3-formamidopropoxy)ethoxy]ethoxy]propyl]-3-sulfanylpropanamide
CID 126759423

Frequently Asked Questions

What is the IUPAC name of N-(2-formamidoethyl)-2-(methyliminomethylamino)oxyacetamide?
The IUPAC name of N-(2-formamidoethyl)-2-(methyliminomethylamino)oxyacetamide (CID 142470512) is N-(2-formamidoethyl)-2-(methyliminomethylamino)oxyacetamide.
What is the SMILES notation for N-(2-formamidoethyl)-2-(methyliminomethylamino)oxyacetamide?
The canonical SMILES for N-(2-formamidoethyl)-2-(methyliminomethylamino)oxyacetamide is C/N=C/NOCC(=O)NCCNC=O.
What is the InChIKey of N-(2-formamidoethyl)-2-(methyliminomethylamino)oxyacetamide?
The InChIKey is FSENOUVLIBKVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O3/c1-8-5-11-14-4-7(13)10-3-2-9-6-12/h5-6H,2-4H2,1H3,(H,8,11)(H,9,12)(H,10,13).
What are the key properties of N-(2-formamidoethyl)-2-(methyliminomethylamino)oxyacetamide?
N-(2-formamidoethyl)-2-(methyliminomethylamino)oxyacetamide has a molecular weight of 202.21 g/mol, XLogP of -1.97, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-formamidoethyl)-2-(methyliminomethylamino)oxyacetamide is sourced from PubChem (CID 142470512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).