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

C6H9NO3 — CID 6303498

IUPAC2-[[(E)-but-2-enoyl]amino]acetic acid
SMILESC/C=C/C(=O)NCC(=O)O
InChIInChI=1S/C6H9NO3/c1-2-3-5(8)7-4-6(9)10/h2-3H,4H2,1H3,(H,7,8)(H,9,10)/b3-2+
InChIKeyWWJXRJJBIVSSNF-NSCUHMNNSA-N
MW143.14 g/mol
LogP-0.24
Rot. Bonds3

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

2-[[(E)-but-2-enoyl]amino]acetic acid (PubChem CID 6303498) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 2-[[(E)-but-2-enoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(E)-but-2-enoyl]amino]acetic acid
PubChem CID6303498
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name2-[[(E)-but-2-enoyl]amino]acetic acid
SMILESC/C=C/C(=O)NCC(=O)O
InChIInChI=1S/C6H9NO3/c1-2-3-5(8)7-4-6(9)10/h2-3H,4H2,1H3,(H,7,8)(H,9,10)/b3-2+
InChIKeyWWJXRJJBIVSSNF-NSCUHMNNSA-N
XLogP-0.24
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-but-2-enoyl]amino]acetic acid?
The IUPAC name of 2-[[(E)-but-2-enoyl]amino]acetic acid (CID 6303498) is 2-[[(E)-but-2-enoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(E)-but-2-enoyl]amino]acetic acid?
The canonical SMILES for 2-[[(E)-but-2-enoyl]amino]acetic acid is C/C=C/C(=O)NCC(=O)O.
What is the InChIKey of 2-[[(E)-but-2-enoyl]amino]acetic acid?
The InChIKey is WWJXRJJBIVSSNF-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H9NO3/c1-2-3-5(8)7-4-6(9)10/h2-3H,4H2,1H3,(H,7,8)(H,9,10)/b3-2+.
What are the key properties of 2-[[(E)-but-2-enoyl]amino]acetic acid?
2-[[(E)-but-2-enoyl]amino]acetic acid has a molecular weight of 143.14 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-but-2-enoyl]amino]acetic acid is sourced from PubChem (CID 6303498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).