cyanamide;2-methylpropanoic acid

C5H10N2O2 — CID 172748410

IUPACcyanamide;2-methylpropanoic acid
SMILESCC(C)C(=O)O.N#CN
InChIInChI=1S/C4H8O2.CH2N2/c1-3(2)4(5)6;2-1-3/h3H,1-2H3,(H,5,6);2H2
InChIKeyKAONHGRODYSRSG-UHFFFAOYSA-N
MW130.15 g/mol
LogP0.15
Rot. Bonds1

About cyanamide;2-methylpropanoic acid

cyanamide;2-methylpropanoic acid (PubChem CID 172748410) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is cyanamide;2-methylpropanoic acid.

Molecular Properties

Compound Namecyanamide;2-methylpropanoic acid
PubChem CID172748410
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Namecyanamide;2-methylpropanoic acid
SMILESCC(C)C(=O)O.N#CN
InChIInChI=1S/C4H8O2.CH2N2/c1-3(2)4(5)6;2-1-3/h3H,1-2H3,(H,5,6);2H2
InChIKeyKAONHGRODYSRSG-UHFFFAOYSA-N
XLogP0.15
TPSA87.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

azane;2-methylpropanoic acid;hydrate
CID 161320294
2-methylpropanoic acid
CID 173073412
alumane;2-methylpropanoic acid
CID 173068323
cerium;tris(2-methylpropanoic acid)
CID 153360547
2-methylpropanoic acid;ruthenium
CID 88674751
methanol;2-methylpropanoic acid
CID 159214919
CID 161404788
CID 161404788
cyanophosphonic acid;2-methylpropanoic acid
CID 174906922
lithium;hydride;bis(2-methylpropanoic acid)
CID 175577602
azane;bis(2-hydroxypropanoic acid);dihydrate
CID 175182487
dichloromethane;2-methylpropanoic acid
CID 161358956
2-methylpropanoic acid;sulfuric acid
CID 160710390

Frequently Asked Questions

What is the IUPAC name of cyanamide;2-methylpropanoic acid?
The IUPAC name of cyanamide;2-methylpropanoic acid (CID 172748410) is cyanamide;2-methylpropanoic acid.
What is the SMILES notation for cyanamide;2-methylpropanoic acid?
The canonical SMILES for cyanamide;2-methylpropanoic acid is CC(C)C(=O)O.N#CN.
What is the InChIKey of cyanamide;2-methylpropanoic acid?
The InChIKey is KAONHGRODYSRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.CH2N2/c1-3(2)4(5)6;2-1-3/h3H,1-2H3,(H,5,6);2H2.
What are the key properties of cyanamide;2-methylpropanoic acid?
cyanamide;2-methylpropanoic acid has a molecular weight of 130.15 g/mol, XLogP of 0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyanamide;2-methylpropanoic acid is sourced from PubChem (CID 172748410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).