amino(methyl)carbamic acid;hydrate

C2H8N2O3 — CID 174569460

IUPACamino(methyl)carbamic acid;hydrate
SMILESCN(N)C(=O)O.O
InChIInChI=1S/C2H6N2O2.H2O/c1-4(3)2(5)6;/h3H2,1H3,(H,5,6);1H2
InChIKeyBBUHIAUGWIEJAP-UHFFFAOYSA-N
MW108.10 g/mol
LogP-1.35
Rot. Bonds

About amino(methyl)carbamic acid;hydrate

amino(methyl)carbamic acid;hydrate (PubChem CID 174569460) has the molecular formula C2H8N2O3 and a molecular weight of 108.10 g/mol. Its IUPAC name is amino(methyl)carbamic acid;hydrate.

Molecular Properties

Compound Nameamino(methyl)carbamic acid;hydrate
PubChem CID174569460
Molecular FormulaC2H8N2O3
Molecular Weight108.10 g/mol
Exact Mass108.05
IUPAC Nameamino(methyl)carbamic acid;hydrate
SMILESCN(N)C(=O)O.O
InChIInChI=1S/C2H6N2O2.H2O/c1-4(3)2(5)6;/h3H2,1H3,(H,5,6);1H2
InChIKeyBBUHIAUGWIEJAP-UHFFFAOYSA-N
XLogP-1.35
TPSA98.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.10
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Methyl 1-methylhydrazine carboxylate
CID 316932
1-Methylhydrazine-1-carboxylic acid
CID 17977374
3,3-Dimethylcarbazic acid
CID 19939255
2,3-Dimethylcarbazic acid
CID 23500234
Aza-l-serine
CID 54036539
Nickel methyl-hydrazinecarboxylate
CID 129731351
Dimethylamino(methyl)carbamic acid
CID 18704616
Amino(methyl)carbamic acid;hydrochloride
CID 87562338
Carbamic acid;1,1-dimethylhydrazine
CID 88597387
[Amino(methyl)amino]-methylcarbamic acid
CID 124142917
Amino(dimethylamino)carbamic acid
CID 151360954
Dimethylcarbamic acid;hydrazine
CID 157392321

Frequently Asked Questions

What is the IUPAC name of amino(methyl)carbamic acid;hydrate?
The IUPAC name of amino(methyl)carbamic acid;hydrate (CID 174569460) is amino(methyl)carbamic acid;hydrate.
What is the SMILES notation for amino(methyl)carbamic acid;hydrate?
The canonical SMILES for amino(methyl)carbamic acid;hydrate is CN(N)C(=O)O.O.
What is the InChIKey of amino(methyl)carbamic acid;hydrate?
The InChIKey is BBUHIAUGWIEJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2O2.H2O/c1-4(3)2(5)6;/h3H2,1H3,(H,5,6);1H2.
What are the key properties of amino(methyl)carbamic acid;hydrate?
amino(methyl)carbamic acid;hydrate has a molecular weight of 108.10 g/mol, XLogP of -1.35, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for amino(methyl)carbamic acid;hydrate is sourced from PubChem (CID 174569460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).