2-(hex-2-enoylamino)acetic acid

C8H13NO3 — CID 75296755

IUPAC2-(hex-2-enoylamino)acetic acid
SMILESCCCC=CC(=O)NCC(=O)O
InChIInChI=1S/C8H13NO3/c1-2-3-4-5-7(10)9-6-8(11)12/h4-5H,2-3,6H2,1H3,(H,9,10)(H,11,12)
InChIKeyAAPHATPOQGNLOZ-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.54
Rot. Bonds5

About 2-(hex-2-enoylamino)acetic acid

2-(hex-2-enoylamino)acetic acid (PubChem CID 75296755) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-(hex-2-enoylamino)acetic acid.

Molecular Properties

Compound Name2-(hex-2-enoylamino)acetic acid
PubChem CID75296755
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name2-(hex-2-enoylamino)acetic acid
SMILESCCCC=CC(=O)NCC(=O)O
InChIInChI=1S/C8H13NO3/c1-2-3-4-5-7(10)9-6-8(11)12/h4-5H,2-3,6H2,1H3,(H,9,10)(H,11,12)
InChIKeyAAPHATPOQGNLOZ-UHFFFAOYSA-N
XLogP0.54
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.54
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-(hex-2-enoylamino)acetic acid?
The IUPAC name of 2-(hex-2-enoylamino)acetic acid (CID 75296755) is 2-(hex-2-enoylamino)acetic acid.
What is the SMILES notation for 2-(hex-2-enoylamino)acetic acid?
The canonical SMILES for 2-(hex-2-enoylamino)acetic acid is CCCC=CC(=O)NCC(=O)O.
What is the InChIKey of 2-(hex-2-enoylamino)acetic acid?
The InChIKey is AAPHATPOQGNLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-2-3-4-5-7(10)9-6-8(11)12/h4-5H,2-3,6H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 2-(hex-2-enoylamino)acetic acid?
2-(hex-2-enoylamino)acetic acid has a molecular weight of 171.20 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hex-2-enoylamino)acetic acid is sourced from PubChem (CID 75296755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).