2-[(N'-methylcarbamimidoyl)amino]ethyl carbamate

C5H12N4O2 — CID 83203999

IUPAC2-[(N'-methylcarbamimidoyl)amino]ethyl carbamate
SMILESC/N=C(\N)NCCOC(N)=O
InChIInChI=1S/C5H12N4O2/c1-8-4(6)9-2-3-11-5(7)10/h2-3H2,1H3,(H2,7,10)(H3,6,8,9)
InChIKeySGDODYUELWUKQK-UHFFFAOYSA-N
MW160.18 g/mol
LogP-1.38
Rot. Bonds3

About 2-[(N'-methylcarbamimidoyl)amino]ethyl carbamate

2-[(N'-methylcarbamimidoyl)amino]ethyl carbamate (PubChem CID 83203999) has the molecular formula C5H12N4O2 and a molecular weight of 160.18 g/mol. Its IUPAC name is 2-[(N'-methylcarbamimidoyl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(N'-methylcarbamimidoyl)amino]ethyl carbamate
PubChem CID83203999
Molecular FormulaC5H12N4O2
Molecular Weight160.18 g/mol
Exact Mass160.10
IUPAC Name2-[(N'-methylcarbamimidoyl)amino]ethyl carbamate
SMILESC/N=C(\N)NCCOC(N)=O
InChIInChI=1S/C5H12N4O2/c1-8-4(6)9-2-3-11-5(7)10/h2-3H2,1H3,(H2,7,10)(H3,6,8,9)
InChIKeySGDODYUELWUKQK-UHFFFAOYSA-N
XLogP-1.38
TPSA102.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[(N'-methylcarbamimidoyl)amino]ethyl nitrate
CID 177489322
2-[(N'-methylcarbamimidoyl)amino]ethyl octanoate
CID 87515035
2-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 62406047
2-[[(2S)-2-aminopropanoyl]amino]ethyl carbamate
CID 83211892
2-(2-aminopropanoylamino)ethyl carbamate
CID 83209218
2-methyl-1-(3-oxopentyl)guanidine
CID 142981589
2-(2-sulfanylpropanoylamino)ethyl carbamate
CID 107034140
tert-butyl N-(2-carbamoyloxyethyl)carbamate
CID 83215599
N-methyl-3-[(N'-methylcarbamimidoyl)amino]propanamide
CID 62359742
2-methyl-1-(2-sulfamoylethyl)guanidine
CID 62358628
2-[(2-bromo-2-methylpropanoyl)amino]ethyl carbamate
CID 114329061
2-(tert-butylcarbamoylamino)ethyl carbamate
CID 116657528

Frequently Asked Questions

What is the IUPAC name of 2-[(N'-methylcarbamimidoyl)amino]ethyl carbamate?
The IUPAC name of 2-[(N'-methylcarbamimidoyl)amino]ethyl carbamate (CID 83203999) is 2-[(N'-methylcarbamimidoyl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(N'-methylcarbamimidoyl)amino]ethyl carbamate?
The canonical SMILES for 2-[(N'-methylcarbamimidoyl)amino]ethyl carbamate is C/N=C(\N)NCCOC(N)=O.
What is the InChIKey of 2-[(N'-methylcarbamimidoyl)amino]ethyl carbamate?
The InChIKey is SGDODYUELWUKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4O2/c1-8-4(6)9-2-3-11-5(7)10/h2-3H2,1H3,(H2,7,10)(H3,6,8,9).
What are the key properties of 2-[(N'-methylcarbamimidoyl)amino]ethyl carbamate?
2-[(N'-methylcarbamimidoyl)amino]ethyl carbamate has a molecular weight of 160.18 g/mol, XLogP of -1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(N'-methylcarbamimidoyl)amino]ethyl carbamate is sourced from PubChem (CID 83203999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).