2-[[(E)-but-2-en-2-yl]amino]acetic acid

C6H11NO2 — CID 130325039

IUPAC2-[[(E)-but-2-en-2-yl]amino]acetic acid
SMILESC/C=C(\C)NCC(=O)O
InChIInChI=1S/C6H11NO2/c1-3-5(2)7-4-6(8)9/h3,7H,4H2,1-2H3,(H,8,9)/b5-3+
InChIKeyKSAYBZWGLZMCKH-HWKANZROSA-N
MW129.16 g/mol
LogP0.58
Rot. Bonds3

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

2-[[(E)-but-2-en-2-yl]amino]acetic acid (PubChem CID 130325039) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 2-[[(E)-but-2-en-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(E)-but-2-en-2-yl]amino]acetic acid
PubChem CID130325039
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name2-[[(E)-but-2-en-2-yl]amino]acetic acid
SMILESC/C=C(\C)NCC(=O)O
InChIInChI=1S/C6H11NO2/c1-3-5(2)7-4-6(8)9/h3,7H,4H2,1-2H3,(H,8,9)/b5-3+
InChIKeyKSAYBZWGLZMCKH-HWKANZROSA-N
XLogP0.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-but-2-en-2-yl]amino]acetic acid?
The IUPAC name of 2-[[(E)-but-2-en-2-yl]amino]acetic acid (CID 130325039) is 2-[[(E)-but-2-en-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[(E)-but-2-en-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[(E)-but-2-en-2-yl]amino]acetic acid is C/C=C(\C)NCC(=O)O.
What is the InChIKey of 2-[[(E)-but-2-en-2-yl]amino]acetic acid?
The InChIKey is KSAYBZWGLZMCKH-HWKANZROSA-N. The full InChI is InChI=1S/C6H11NO2/c1-3-5(2)7-4-6(8)9/h3,7H,4H2,1-2H3,(H,8,9)/b5-3+.
What are the key properties of 2-[[(E)-but-2-en-2-yl]amino]acetic acid?
2-[[(E)-but-2-en-2-yl]amino]acetic acid has a molecular weight of 129.16 g/mol, XLogP of 0.58, 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-en-2-yl]amino]acetic acid is sourced from PubChem (CID 130325039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).