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

C10H17NO2 — CID 62254522

IUPAC2-[bis(prop-2-enyl)amino]butanoic acid
SMILESC=CCN(CC=C)C(CC)C(=O)O
InChIInChI=1S/C10H17NO2/c1-4-7-11(8-5-2)9(6-3)10(12)13/h4-5,9H,1-2,6-8H2,3H3,(H,12,13)
InChIKeySGEDZYOPQRQPKS-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.52
Rot. Bonds7

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

2-[bis(prop-2-enyl)amino]butanoic acid (PubChem CID 62254522) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-[bis(prop-2-enyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[bis(prop-2-enyl)amino]butanoic acid
PubChem CID62254522
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-[bis(prop-2-enyl)amino]butanoic acid
SMILESC=CCN(CC=C)C(CC)C(=O)O
InChIInChI=1S/C10H17NO2/c1-4-7-11(8-5-2)9(6-3)10(12)13/h4-5,9H,1-2,6-8H2,3H3,(H,12,13)
InChIKeySGEDZYOPQRQPKS-UHFFFAOYSA-N
XLogP1.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.52
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]butanoic acid?
The IUPAC name of 2-[bis(prop-2-enyl)amino]butanoic acid (CID 62254522) is 2-[bis(prop-2-enyl)amino]butanoic acid.
What is the SMILES notation for 2-[bis(prop-2-enyl)amino]butanoic acid?
The canonical SMILES for 2-[bis(prop-2-enyl)amino]butanoic acid is C=CCN(CC=C)C(CC)C(=O)O.
What is the InChIKey of 2-[bis(prop-2-enyl)amino]butanoic acid?
The InChIKey is SGEDZYOPQRQPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-4-7-11(8-5-2)9(6-3)10(12)13/h4-5,9H,1-2,6-8H2,3H3,(H,12,13).
What are the key properties of 2-[bis(prop-2-enyl)amino]butanoic acid?
2-[bis(prop-2-enyl)amino]butanoic acid has a molecular weight of 183.25 g/mol, XLogP of 1.52, 7 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]butanoic acid is sourced from PubChem (CID 62254522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).