propanamide;propanedioic acid

C9H18N2O6 — CID 174420039

IUPACpropanamide;propanedioic acid
SMILESCCC(N)=O.CCC(N)=O.O=C(O)CC(=O)O
InChIInChI=1S/2C3H7NO.C3H4O4/c2*1-2-3(4)5;4-2(5)1-3(6)7/h2*2H2,1H3,(H2,4,5);1H2,(H,4,5)(H,6,7)
InChIKeyUHCSXTABIUCZBV-UHFFFAOYSA-N
MW250.25 g/mol
LogP-0.69
Rot. Bonds4

About propanamide;propanedioic acid

propanamide;propanedioic acid (PubChem CID 174420039) has the molecular formula C9H18N2O6 and a molecular weight of 250.25 g/mol. Its IUPAC name is propanamide;propanedioic acid.

Molecular Properties

Compound Namepropanamide;propanedioic acid
PubChem CID174420039
Molecular FormulaC9H18N2O6
Molecular Weight250.25 g/mol
Exact Mass250.12
IUPAC Namepropanamide;propanedioic acid
SMILESCCC(N)=O.CCC(N)=O.O=C(O)CC(=O)O
InChIInChI=1S/2C3H7NO.C3H4O4/c2*1-2-3(4)5;4-2(5)1-3(6)7/h2*2H2,1H3,(H2,4,5);1H2,(H,4,5)(H,6,7)
InChIKeyUHCSXTABIUCZBV-UHFFFAOYSA-N
XLogP-0.69
TPSA160.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 5-0.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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CID 19791604
methanol;propanedioic acid
CID 87156965
N-ethylethanamine;propanamide
CID 172821181
propanamide;thionyl dichloride
CID 161371403
3-amino-3-oxopropanoic acid;sulfane
CID 175305648
cyclohexane;propanamide
CID 143816223
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CID 174908586
propanedioic acid;tungsten
CID 22081019
CID 87073401
CID 87073401

Frequently Asked Questions

What is the IUPAC name of propanamide;propanedioic acid?
The IUPAC name of propanamide;propanedioic acid (CID 174420039) is propanamide;propanedioic acid.
What is the SMILES notation for propanamide;propanedioic acid?
The canonical SMILES for propanamide;propanedioic acid is CCC(N)=O.CCC(N)=O.O=C(O)CC(=O)O.
What is the InChIKey of propanamide;propanedioic acid?
The InChIKey is UHCSXTABIUCZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H7NO.C3H4O4/c2*1-2-3(4)5;4-2(5)1-3(6)7/h2*2H2,1H3,(H2,4,5);1H2,(H,4,5)(H,6,7).
What are the key properties of propanamide;propanedioic acid?
propanamide;propanedioic acid has a molecular weight of 250.25 g/mol, XLogP of -0.69, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propanamide;propanedioic acid is sourced from PubChem (CID 174420039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).