2-aminoprop-2-enamide;prop-2-enoic acid

C6H10N2O3 — CID 173105989

IUPAC2-aminoprop-2-enamide;prop-2-enoic acid
SMILESC=C(N)C(N)=O.C=CC(=O)O
InChIInChI=1S/C3H6N2O.C3H4O2/c1-2(4)3(5)6;1-2-3(4)5/h1,4H2,(H2,5,6);2H,1H2,(H,4,5)
InChIKeyOUJLJVZXFYYXJU-UHFFFAOYSA-N
MW158.16 g/mol
LogP-0.80
Rot. Bonds2

About 2-aminoprop-2-enamide;prop-2-enoic acid

2-aminoprop-2-enamide;prop-2-enoic acid (PubChem CID 173105989) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is 2-aminoprop-2-enamide;prop-2-enoic acid.

Molecular Properties

Compound Name2-aminoprop-2-enamide;prop-2-enoic acid
PubChem CID173105989
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name2-aminoprop-2-enamide;prop-2-enoic acid
SMILESC=C(N)C(N)=O.C=CC(=O)O
InChIInChI=1S/C3H6N2O.C3H4O2/c1-2(4)3(5)6;1-2-3(4)5/h1,4H2,(H2,5,6);2H,1H2,(H,4,5)
InChIKeyOUJLJVZXFYYXJU-UHFFFAOYSA-N
XLogP-0.80
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methylprop-2-enamide;prop-2-enamide;prop-2-enoic acid
CID 157463819
ethene-1,1-diol;prop-2-enamide
CID 174658864
carbamic acid;prop-2-enoic acid;hydrate
CID 174529556
hydrazine;bis(prop-2-enoic acid)
CID 160974981
2-aminoprop-2-enamide
CID 3332061
iron(2+);prop-2-enoic acid
CID 10290804
cerium;bis(prop-2-enoic acid)
CID 169316659
bis(prop-2-enoic acid);hydrochloride
CID 88811054
CID 87061462
CID 87061462
Acrylic acid potassium salt
CID 87124626
prop-2-enoic acid;hydrochloride
CID 22354205
prop-2-enoic acid;hexahydrate
CID 172682107

Frequently Asked Questions

What is the IUPAC name of 2-aminoprop-2-enamide;prop-2-enoic acid?
The IUPAC name of 2-aminoprop-2-enamide;prop-2-enoic acid (CID 173105989) is 2-aminoprop-2-enamide;prop-2-enoic acid.
What is the SMILES notation for 2-aminoprop-2-enamide;prop-2-enoic acid?
The canonical SMILES for 2-aminoprop-2-enamide;prop-2-enoic acid is C=C(N)C(N)=O.C=CC(=O)O.
What is the InChIKey of 2-aminoprop-2-enamide;prop-2-enoic acid?
The InChIKey is OUJLJVZXFYYXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O.C3H4O2/c1-2(4)3(5)6;1-2-3(4)5/h1,4H2,(H2,5,6);2H,1H2,(H,4,5).
What are the key properties of 2-aminoprop-2-enamide;prop-2-enoic acid?
2-aminoprop-2-enamide;prop-2-enoic acid has a molecular weight of 158.16 g/mol, XLogP of -0.80, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoprop-2-enamide;prop-2-enoic acid is sourced from PubChem (CID 173105989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).