2-[[(E)-but-2-enoyl]-formamidoamino]acetic acid

C7H10N2O4 — CID 170570565

IUPAC2-[[(E)-but-2-enoyl]-formamidoamino]acetic acid
SMILESC/C=C/C(=O)N(CC(=O)O)NC=O
InChIInChI=1S/C7H10N2O4/c1-2-3-6(11)9(8-5-10)4-7(12)13/h2-3,5H,4H2,1H3,(H,8,10)(H,12,13)/b3-2+
InChIKeyLDIOUAOGFJJXBN-NSCUHMNNSA-N
MW186.17 g/mol
LogP-0.86
Rot. Bonds5

About 2-[[(E)-but-2-enoyl]-formamidoamino]acetic acid

2-[[(E)-but-2-enoyl]-formamidoamino]acetic acid (PubChem CID 170570565) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is 2-[[(E)-but-2-enoyl]-formamidoamino]acetic acid.

Molecular Properties

Compound Name2-[[(E)-but-2-enoyl]-formamidoamino]acetic acid
PubChem CID170570565
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Name2-[[(E)-but-2-enoyl]-formamidoamino]acetic acid
SMILESC/C=C/C(=O)N(CC(=O)O)NC=O
InChIInChI=1S/C7H10N2O4/c1-2-3-6(11)9(8-5-10)4-7(12)13/h2-3,5H,4H2,1H3,(H,8,10)(H,12,13)/b3-2+
InChIKeyLDIOUAOGFJJXBN-NSCUHMNNSA-N
XLogP-0.86
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-but-2-enoyl]-formamidoamino]acetic acid?
The IUPAC name of 2-[[(E)-but-2-enoyl]-formamidoamino]acetic acid (CID 170570565) is 2-[[(E)-but-2-enoyl]-formamidoamino]acetic acid.
What is the SMILES notation for 2-[[(E)-but-2-enoyl]-formamidoamino]acetic acid?
The canonical SMILES for 2-[[(E)-but-2-enoyl]-formamidoamino]acetic acid is C/C=C/C(=O)N(CC(=O)O)NC=O.
What is the InChIKey of 2-[[(E)-but-2-enoyl]-formamidoamino]acetic acid?
The InChIKey is LDIOUAOGFJJXBN-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H10N2O4/c1-2-3-6(11)9(8-5-10)4-7(12)13/h2-3,5H,4H2,1H3,(H,8,10)(H,12,13)/b3-2+.
What are the key properties of 2-[[(E)-but-2-enoyl]-formamidoamino]acetic acid?
2-[[(E)-but-2-enoyl]-formamidoamino]acetic acid has a molecular weight of 186.17 g/mol, XLogP of -0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-but-2-enoyl]-formamidoamino]acetic acid is sourced from PubChem (CID 170570565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).