2-[bis[(E)-but-2-enyl]amino]acetic acid

C10H17NO2 — CID 87145618

IUPAC2-[bis[(E)-but-2-enyl]amino]acetic acid
SMILESC/C=C/CN(C/C=C/C)CC(=O)O
InChIInChI=1S/C10H17NO2/c1-3-5-7-11(8-6-4-2)9-10(12)13/h3-6H,7-9H2,1-2H3,(H,12,13)/b5-3+,6-4+
InChIKeyWKJIACUJHORPIN-GGWOSOGESA-N
MW183.25 g/mol
LogP1.53
Rot. Bonds6

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

2-[bis[(E)-but-2-enyl]amino]acetic acid (PubChem CID 87145618) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-[bis[(E)-but-2-enyl]amino]acetic acid.

Molecular Properties

Compound Name2-[bis[(E)-but-2-enyl]amino]acetic acid
PubChem CID87145618
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-[bis[(E)-but-2-enyl]amino]acetic acid
SMILESC/C=C/CN(C/C=C/C)CC(=O)O
InChIInChI=1S/C10H17NO2/c1-3-5-7-11(8-6-4-2)9-10(12)13/h3-6H,7-9H2,1-2H3,(H,12,13)/b5-3+,6-4+
InChIKeyWKJIACUJHORPIN-GGWOSOGESA-N
XLogP1.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[bis[(E)-but-2-enyl]amino]acetic acid?
The IUPAC name of 2-[bis[(E)-but-2-enyl]amino]acetic acid (CID 87145618) is 2-[bis[(E)-but-2-enyl]amino]acetic acid.
What is the SMILES notation for 2-[bis[(E)-but-2-enyl]amino]acetic acid?
The canonical SMILES for 2-[bis[(E)-but-2-enyl]amino]acetic acid is C/C=C/CN(C/C=C/C)CC(=O)O.
What is the InChIKey of 2-[bis[(E)-but-2-enyl]amino]acetic acid?
The InChIKey is WKJIACUJHORPIN-GGWOSOGESA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-5-7-11(8-6-4-2)9-10(12)13/h3-6H,7-9H2,1-2H3,(H,12,13)/b5-3+,6-4+.
What are the key properties of 2-[bis[(E)-but-2-enyl]amino]acetic acid?
2-[bis[(E)-but-2-enyl]amino]acetic acid has a molecular weight of 183.25 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[(E)-but-2-enyl]amino]acetic acid is sourced from PubChem (CID 87145618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).