3-[[N-amino-N'-(2-methoxyethyl)carbamimidoyl]amino]propanamide

C7H17N5O2 — CID 104883842

IUPAC3-[[N-amino-N'-(2-methoxyethyl)carbamimidoyl]amino]propanamide
SMILESCOCC/N=C(\NN)NCCC(N)=O
InChIInChI=1S/C7H17N5O2/c1-14-5-4-11-7(12-9)10-3-2-6(8)13/h2-5,9H2,1H3,(H2,8,13)(H2,10,11,12)
InChIKeyYQBVHTJDILBWRG-UHFFFAOYSA-N
MW203.25 g/mol
LogP-2.08
Rot. Bonds6

About 3-[[N-amino-N'-(2-methoxyethyl)carbamimidoyl]amino]propanamide

3-[[N-amino-N'-(2-methoxyethyl)carbamimidoyl]amino]propanamide (PubChem CID 104883842) has the molecular formula C7H17N5O2 and a molecular weight of 203.25 g/mol. Its IUPAC name is 3-[[N-amino-N'-(2-methoxyethyl)carbamimidoyl]amino]propanamide.

Molecular Properties

Compound Name3-[[N-amino-N'-(2-methoxyethyl)carbamimidoyl]amino]propanamide
PubChem CID104883842
Molecular FormulaC7H17N5O2
Molecular Weight203.25 g/mol
Exact Mass203.14
IUPAC Name3-[[N-amino-N'-(2-methoxyethyl)carbamimidoyl]amino]propanamide
SMILESCOCC/N=C(\NN)NCCC(N)=O
InChIInChI=1S/C7H17N5O2/c1-14-5-4-11-7(12-9)10-3-2-6(8)13/h2-5,9H2,1H3,(H2,8,13)(H2,10,11,12)
InChIKeyYQBVHTJDILBWRG-UHFFFAOYSA-N
XLogP-2.08
TPSA114.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 5-2.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-[[N-amino-N'-(3-methoxypropyl)carbamimidoyl]amino]ethyl carbamate
CID 104888085
1-amino-2-(2-methoxyethyl)-3-[2-(methylsulfamoyl)ethyl]guanidine
CID 106341206
1-amino-3-[2-(3,5-difluorophenyl)ethyl]-2-(2-methoxyethyl)guanidine
CID 116511082
propan-2-yl 3-[[N-ethyl-N'-(2-methoxyethyl)carbamimidoyl]amino]propanoate
CID 110941130
1-amino-3-(2-methoxyethyl)-2-(4-methylpentyl)guanidine
CID 104885989
1-ethyl-2,3-bis(2-methoxyethyl)guanidine
CID 110940924
1-amino-3-[2-(2-fluorophenyl)ethyl]-2-(2-methoxyethyl)guanidine
CID 116512075
1-amino-3-(2-methoxyethyl)-2-(4-methylsulfanylbutyl)guanidine
CID 104888522
1-ethyl-2-(2-methoxyethyl)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine
CID 110941086
2-amino-N-(3-amino-3-oxopropyl)-4-methoxybutanamide
CID 62473721
N-amino-N'-(2-methoxyethyl)-2,2-dimethylpropanimidamide
CID 62544152
1-amino-2-(2-methoxypropyl)-3-(3-methoxypropyl)guanidine
CID 102702156

Frequently Asked Questions

What is the IUPAC name of 3-[[N-amino-N'-(2-methoxyethyl)carbamimidoyl]amino]propanamide?
The IUPAC name of 3-[[N-amino-N'-(2-methoxyethyl)carbamimidoyl]amino]propanamide (CID 104883842) is 3-[[N-amino-N'-(2-methoxyethyl)carbamimidoyl]amino]propanamide.
What is the SMILES notation for 3-[[N-amino-N'-(2-methoxyethyl)carbamimidoyl]amino]propanamide?
The canonical SMILES for 3-[[N-amino-N'-(2-methoxyethyl)carbamimidoyl]amino]propanamide is COCC/N=C(\NN)NCCC(N)=O.
What is the InChIKey of 3-[[N-amino-N'-(2-methoxyethyl)carbamimidoyl]amino]propanamide?
The InChIKey is YQBVHTJDILBWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N5O2/c1-14-5-4-11-7(12-9)10-3-2-6(8)13/h2-5,9H2,1H3,(H2,8,13)(H2,10,11,12).
What are the key properties of 3-[[N-amino-N'-(2-methoxyethyl)carbamimidoyl]amino]propanamide?
3-[[N-amino-N'-(2-methoxyethyl)carbamimidoyl]amino]propanamide has a molecular weight of 203.25 g/mol, XLogP of -2.08, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[N-amino-N'-(2-methoxyethyl)carbamimidoyl]amino]propanamide is sourced from PubChem (CID 104883842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).