methylaminomethylcarbamic acid

C3H8N2O2 — CID 154088929

IUPACmethylaminomethylcarbamic acid
SMILESCNCNC(=O)O
InChIInChI=1S/C3H8N2O2/c1-4-2-5-3(6)7/h4-5H,2H2,1H3,(H,6,7)
InChIKeyXAJQURQWGIPLDQ-UHFFFAOYSA-N
MW104.11 g/mol
LogP-0.57
Rot. Bonds2

About methylaminomethylcarbamic acid

methylaminomethylcarbamic acid (PubChem CID 154088929) has the molecular formula C3H8N2O2 and a molecular weight of 104.11 g/mol. Its IUPAC name is methylaminomethylcarbamic acid.

Molecular Properties

Compound Namemethylaminomethylcarbamic acid
PubChem CID154088929
Molecular FormulaC3H8N2O2
Molecular Weight104.11 g/mol
Exact Mass104.06
IUPAC Namemethylaminomethylcarbamic acid
SMILESCNCNC(=O)O
InChIInChI=1S/C3H8N2O2/c1-4-2-5-3(6)7/h4-5H,2H2,1H3,(H,6,7)
InChIKeyXAJQURQWGIPLDQ-UHFFFAOYSA-N
XLogP-0.57
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.11
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methylaminomethylcarbamic acid?
The IUPAC name of methylaminomethylcarbamic acid (CID 154088929) is methylaminomethylcarbamic acid.
What is the SMILES notation for methylaminomethylcarbamic acid?
The canonical SMILES for methylaminomethylcarbamic acid is CNCNC(=O)O.
What is the InChIKey of methylaminomethylcarbamic acid?
The InChIKey is XAJQURQWGIPLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O2/c1-4-2-5-3(6)7/h4-5H,2H2,1H3,(H,6,7).
What are the key properties of methylaminomethylcarbamic acid?
methylaminomethylcarbamic acid has a molecular weight of 104.11 g/mol, XLogP of -0.57, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylaminomethylcarbamic acid is sourced from PubChem (CID 154088929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).