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

C7H11NO3 — CID 6441567

IUPAC2-[[(E)-2-methylbut-2-enoyl]amino]acetic acid
SMILESC/C=C(\C)C(=O)NCC(=O)O
InChIInChI=1S/C7H11NO3/c1-3-5(2)7(11)8-4-6(9)10/h3H,4H2,1-2H3,(H,8,11)(H,9,10)/b5-3+
InChIKeyWRUSVQOKJIDBLP-HWKANZROSA-N
MW157.17 g/mol
LogP0.15
Rot. Bonds3

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

2-[[(E)-2-methylbut-2-enoyl]amino]acetic acid (PubChem CID 6441567) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-[[(E)-2-methylbut-2-enoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(E)-2-methylbut-2-enoyl]amino]acetic acid
PubChem CID6441567
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name2-[[(E)-2-methylbut-2-enoyl]amino]acetic acid
SMILESC/C=C(\C)C(=O)NCC(=O)O
InChIInChI=1S/C7H11NO3/c1-3-5(2)7(11)8-4-6(9)10/h3H,4H2,1-2H3,(H,8,11)(H,9,10)/b5-3+
InChIKeyWRUSVQOKJIDBLP-HWKANZROSA-N
XLogP0.15
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.15
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)-2-methylbut-2-enoyl]amino]acetic acid?
The IUPAC name of 2-[[(E)-2-methylbut-2-enoyl]amino]acetic acid (CID 6441567) is 2-[[(E)-2-methylbut-2-enoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(E)-2-methylbut-2-enoyl]amino]acetic acid?
The canonical SMILES for 2-[[(E)-2-methylbut-2-enoyl]amino]acetic acid is C/C=C(\C)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[(E)-2-methylbut-2-enoyl]amino]acetic acid?
The InChIKey is WRUSVQOKJIDBLP-HWKANZROSA-N. The full InChI is InChI=1S/C7H11NO3/c1-3-5(2)7(11)8-4-6(9)10/h3H,4H2,1-2H3,(H,8,11)(H,9,10)/b5-3+.
What are the key properties of 2-[[(E)-2-methylbut-2-enoyl]amino]acetic acid?
2-[[(E)-2-methylbut-2-enoyl]amino]acetic acid has a molecular weight of 157.17 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-2-methylbut-2-enoyl]amino]acetic acid is sourced from PubChem (CID 6441567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).