4-[bis(prop-2-enyl)amino]butanoic acid

C10H17NO2 — CID 14855695

IUPAC4-[bis(prop-2-enyl)amino]butanoic acid
SMILESC=CCN(CC=C)CCCC(=O)O
InChIInChI=1S/C10H17NO2/c1-3-7-11(8-4-2)9-5-6-10(12)13/h3-4H,1-2,5-9H2,(H,12,13)
InChIKeyYYWNJIGIQZJUOW-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.53
Rot. Bonds8

About 4-[bis(prop-2-enyl)amino]butanoic acid

4-[bis(prop-2-enyl)amino]butanoic acid (PubChem CID 14855695) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-[bis(prop-2-enyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[bis(prop-2-enyl)amino]butanoic acid
PubChem CID14855695
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name4-[bis(prop-2-enyl)amino]butanoic acid
SMILESC=CCN(CC=C)CCCC(=O)O
InChIInChI=1S/C10H17NO2/c1-3-7-11(8-4-2)9-5-6-10(12)13/h3-4H,1-2,5-9H2,(H,12,13)
InChIKeyYYWNJIGIQZJUOW-UHFFFAOYSA-N
XLogP1.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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 4-[bis(prop-2-enyl)amino]butanoic acid?
The IUPAC name of 4-[bis(prop-2-enyl)amino]butanoic acid (CID 14855695) is 4-[bis(prop-2-enyl)amino]butanoic acid.
What is the SMILES notation for 4-[bis(prop-2-enyl)amino]butanoic acid?
The canonical SMILES for 4-[bis(prop-2-enyl)amino]butanoic acid is C=CCN(CC=C)CCCC(=O)O.
What is the InChIKey of 4-[bis(prop-2-enyl)amino]butanoic acid?
The InChIKey is YYWNJIGIQZJUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-7-11(8-4-2)9-5-6-10(12)13/h3-4H,1-2,5-9H2,(H,12,13).
What are the key properties of 4-[bis(prop-2-enyl)amino]butanoic acid?
4-[bis(prop-2-enyl)amino]butanoic acid has a molecular weight of 183.25 g/mol, XLogP of 1.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(prop-2-enyl)amino]butanoic acid is sourced from PubChem (CID 14855695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).