methylurea;prop-2-ynoic acid

C5H8N2O3 — CID 172728216

IUPACmethylurea;prop-2-ynoic acid
SMILESC#CC(=O)O.CNC(N)=O
InChIInChI=1S/C3H2O2.C2H6N2O/c1-2-3(4)5;1-4-2(3)5/h1H,(H,4,5);1H3,(H3,3,4,5)
InChIKeyHKYIOLILYPSDMT-UHFFFAOYSA-N
MW144.13 g/mol
LogP-1.01
Rot. Bonds

About methylurea;prop-2-ynoic acid

methylurea;prop-2-ynoic acid (PubChem CID 172728216) has the molecular formula C5H8N2O3 and a molecular weight of 144.13 g/mol. Its IUPAC name is methylurea;prop-2-ynoic acid.

Molecular Properties

Compound Namemethylurea;prop-2-ynoic acid
PubChem CID172728216
Molecular FormulaC5H8N2O3
Molecular Weight144.13 g/mol
Exact Mass144.05
IUPAC Namemethylurea;prop-2-ynoic acid
SMILESC#CC(=O)O.CNC(N)=O
InChIInChI=1S/C3H2O2.C2H6N2O/c1-2-3(4)5;1-4-2(3)5/h1H,(H,4,5);1H3,(H3,3,4,5)
InChIKeyHKYIOLILYPSDMT-UHFFFAOYSA-N
XLogP-1.01
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

methylurea;ruthenium
CID 159209634
hydrazine;methylurea
CID 158581810
methylurea;hydrate
CID 141425619
methylurea;hydrate;hydrochloride
CID 172734420
methane;prop-2-ynoic acid
CID 173375063
prop-2-ynoic acid;titanium
CID 18781419
prop-2-ynoic acid;hydrochloride
CID 87260924
iodoethyne;prop-2-ynoic acid
CID 159080639
fluorophosphonic acid;methylurea
CID 173044631
sodium;methylurea;nitrite
CID 23667525
acetyl acetate;methylurea
CID 157181013
carbamic acid;methylhydrazine
CID 172698335

Frequently Asked Questions

What is the IUPAC name of methylurea;prop-2-ynoic acid?
The IUPAC name of methylurea;prop-2-ynoic acid (CID 172728216) is methylurea;prop-2-ynoic acid.
What is the SMILES notation for methylurea;prop-2-ynoic acid?
The canonical SMILES for methylurea;prop-2-ynoic acid is C#CC(=O)O.CNC(N)=O.
What is the InChIKey of methylurea;prop-2-ynoic acid?
The InChIKey is HKYIOLILYPSDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2O2.C2H6N2O/c1-2-3(4)5;1-4-2(3)5/h1H,(H,4,5);1H3,(H3,3,4,5).
What are the key properties of methylurea;prop-2-ynoic acid?
methylurea;prop-2-ynoic acid has a molecular weight of 144.13 g/mol, XLogP of -1.01, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylurea;prop-2-ynoic acid is sourced from PubChem (CID 172728216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).