2-[[(Z)-but-2-enyl]amino]acetic acid

C6H11NO2 — CID 87168838

IUPAC2-[[(Z)-but-2-enyl]amino]acetic acid
SMILESC/C=C\CNCC(=O)O
InChIInChI=1S/C6H11NO2/c1-2-3-4-7-5-6(8)9/h2-3,7H,4-5H2,1H3,(H,8,9)/b3-2-
InChIKeyLKQSFPOXQAQZJB-IHWYPQMZSA-N
MW129.16 g/mol
LogP0.24
Rot. Bonds4

About 2-[[(Z)-but-2-enyl]amino]acetic acid

2-[[(Z)-but-2-enyl]amino]acetic acid (PubChem CID 87168838) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 2-[[(Z)-but-2-enyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(Z)-but-2-enyl]amino]acetic acid
PubChem CID87168838
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name2-[[(Z)-but-2-enyl]amino]acetic acid
SMILESC/C=C\CNCC(=O)O
InChIInChI=1S/C6H11NO2/c1-2-3-4-7-5-6(8)9/h2-3,7H,4-5H2,1H3,(H,8,9)/b3-2-
InChIKeyLKQSFPOXQAQZJB-IHWYPQMZSA-N
XLogP0.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-but-2-enyl]amino]acetic acid?
The IUPAC name of 2-[[(Z)-but-2-enyl]amino]acetic acid (CID 87168838) is 2-[[(Z)-but-2-enyl]amino]acetic acid.
What is the SMILES notation for 2-[[(Z)-but-2-enyl]amino]acetic acid?
The canonical SMILES for 2-[[(Z)-but-2-enyl]amino]acetic acid is C/C=C\CNCC(=O)O.
What is the InChIKey of 2-[[(Z)-but-2-enyl]amino]acetic acid?
The InChIKey is LKQSFPOXQAQZJB-IHWYPQMZSA-N. The full InChI is InChI=1S/C6H11NO2/c1-2-3-4-7-5-6(8)9/h2-3,7H,4-5H2,1H3,(H,8,9)/b3-2-.
What are the key properties of 2-[[(Z)-but-2-enyl]amino]acetic acid?
2-[[(Z)-but-2-enyl]amino]acetic acid has a molecular weight of 129.16 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-but-2-enyl]amino]acetic acid is sourced from PubChem (CID 87168838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).