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

C11H17NO2 — CID 87405924

IUPAC2-[bis(prop-2-enyl)amino]pent-4-enoic acid
SMILESC=CCC(C(=O)O)N(CC=C)CC=C
InChIInChI=1S/C11H17NO2/c1-4-7-10(11(13)14)12(8-5-2)9-6-3/h4-6,10H,1-3,7-9H2,(H,13,14)
InChIKeyIEZCYORDPHNZRG-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.69
Rot. Bonds8

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

2-[bis(prop-2-enyl)amino]pent-4-enoic acid (PubChem CID 87405924) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-[bis(prop-2-enyl)amino]pent-4-enoic acid.

Molecular Properties

Compound Name2-[bis(prop-2-enyl)amino]pent-4-enoic acid
PubChem CID87405924
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-[bis(prop-2-enyl)amino]pent-4-enoic acid
SMILESC=CCC(C(=O)O)N(CC=C)CC=C
InChIInChI=1S/C11H17NO2/c1-4-7-10(11(13)14)12(8-5-2)9-6-3/h4-6,10H,1-3,7-9H2,(H,13,14)
InChIKeyIEZCYORDPHNZRG-UHFFFAOYSA-N
XLogP1.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.69
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(prop-2-enyl)amino]pent-4-enoic acid?
The IUPAC name of 2-[bis(prop-2-enyl)amino]pent-4-enoic acid (CID 87405924) is 2-[bis(prop-2-enyl)amino]pent-4-enoic acid.
What is the SMILES notation for 2-[bis(prop-2-enyl)amino]pent-4-enoic acid?
The canonical SMILES for 2-[bis(prop-2-enyl)amino]pent-4-enoic acid is C=CCC(C(=O)O)N(CC=C)CC=C.
What is the InChIKey of 2-[bis(prop-2-enyl)amino]pent-4-enoic acid?
The InChIKey is IEZCYORDPHNZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-4-7-10(11(13)14)12(8-5-2)9-6-3/h4-6,10H,1-3,7-9H2,(H,13,14).
What are the key properties of 2-[bis(prop-2-enyl)amino]pent-4-enoic acid?
2-[bis(prop-2-enyl)amino]pent-4-enoic acid has a molecular weight of 195.26 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(prop-2-enyl)amino]pent-4-enoic acid is sourced from PubChem (CID 87405924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).