2-iminopropanoic acid

C3H5NO2 — CID 5288980

IUPAC2-iminopropanoic acid
SMILES[H]/N=C(\C)C(=O)O
InChIInChI=1S/C3H5NO2/c1-2(4)3(5)6/h4H,1H3,(H,5,6)/b4-2+
InChIKeyDUAWRLXHCUAWMK-DUXPYHPUSA-N
MW87.08 g/mol
LogP0.11
Rot. Bonds1

About 2-iminopropanoic acid

2-iminopropanoic acid (PubChem CID 5288980) has the molecular formula C3H5NO2 and a molecular weight of 87.08 g/mol. Its IUPAC name is 2-iminopropanoic acid.

Molecular Properties

Compound Name2-iminopropanoic acid
PubChem CID5288980
Molecular FormulaC3H5NO2
Molecular Weight87.08 g/mol
Exact Mass87.03
IUPAC Name2-iminopropanoic acid
SMILES[H]/N=C(\C)C(=O)O
InChIInChI=1S/C3H5NO2/c1-2(4)3(5)6/h4H,1H3,(H,5,6)/b4-2+
InChIKeyDUAWRLXHCUAWMK-DUXPYHPUSA-N
XLogP0.11
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.08
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-iminopropanoic acid?
The IUPAC name of 2-iminopropanoic acid (CID 5288980) is 2-iminopropanoic acid.
What is the SMILES notation for 2-iminopropanoic acid?
The canonical SMILES for 2-iminopropanoic acid is [H]/N=C(\C)C(=O)O.
What is the InChIKey of 2-iminopropanoic acid?
The InChIKey is DUAWRLXHCUAWMK-DUXPYHPUSA-N. The full InChI is InChI=1S/C3H5NO2/c1-2(4)3(5)6/h4H,1H3,(H,5,6)/b4-2+.
What are the key properties of 2-iminopropanoic acid?
2-iminopropanoic acid has a molecular weight of 87.08 g/mol, XLogP of 0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iminopropanoic acid is sourced from PubChem (CID 5288980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).