3,4-bis[bis(prop-2-enyl)amino]butanoic acid

C16H26N2O2 — CID 118195049

IUPAC3,4-bis[bis(prop-2-enyl)amino]butanoic acid
SMILESC=CCN(CC=C)CC(CC(=O)O)N(CC=C)CC=C
InChIInChI=1S/C16H26N2O2/c1-5-9-17(10-6-2)14-15(13-16(19)20)18(11-7-3)12-8-4/h5-8,15H,1-4,9-14H2,(H,19,20)
InChIKeyIZUCNZXTGSCVHR-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.18
Rot. Bonds13

About 3,4-bis[bis(prop-2-enyl)amino]butanoic acid

3,4-bis[bis(prop-2-enyl)amino]butanoic acid (PubChem CID 118195049) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3,4-bis[bis(prop-2-enyl)amino]butanoic acid.

Molecular Properties

Compound Name3,4-bis[bis(prop-2-enyl)amino]butanoic acid
PubChem CID118195049
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3,4-bis[bis(prop-2-enyl)amino]butanoic acid
SMILESC=CCN(CC=C)CC(CC(=O)O)N(CC=C)CC=C
InChIInChI=1S/C16H26N2O2/c1-5-9-17(10-6-2)14-15(13-16(19)20)18(11-7-3)12-8-4/h5-8,15H,1-4,9-14H2,(H,19,20)
InChIKeyIZUCNZXTGSCVHR-UHFFFAOYSA-N
XLogP2.18
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[Bis(prop-2-enyl)amino]butanoic acid
CID 62254005
[1-Carboxy-3-[tris(prop-2-enyl)azaniumyl]propan-2-yl]-tris(prop-2-enyl)azanium
CID 87139605
[1-Carboxy-3-[tris(prop-2-enyl)azaniumyl]propan-2-yl]-tris(prop-2-enyl)azanium;dihydrochloride
CID 87139709
3-Amino-4-[bis(prop-2-enyl)amino]butanoic acid
CID 87569151
3-(Dimethylamino)-4-(prop-2-enylamino)butanoic acid
CID 88169968
4-[[(E)-but-2-enyl]-propan-2-ylamino]butanoic acid
CID 60833795
4-[Propan-2-yl(prop-2-enyl)amino]butanoic acid
CID 60835222
3-[Ethyl(prop-2-enyl)amino]butanoic acid
CID 62826925
4-[2-Carboxyethyl(prop-2-enyl)amino]butanoic acid
CID 82330573
2-(4-Prop-2-enylpiperazin-2-yl)acetic acid
CID 84111215
2-(1-Prop-2-enylpiperazin-2-yl)acetic acid
CID 84111225
2-(1-Methyl-4-prop-2-enylpiperazin-2-yl)acetic acid
CID 84115638

Frequently Asked Questions

What is the IUPAC name of 3,4-bis[bis(prop-2-enyl)amino]butanoic acid?
The IUPAC name of 3,4-bis[bis(prop-2-enyl)amino]butanoic acid (CID 118195049) is 3,4-bis[bis(prop-2-enyl)amino]butanoic acid.
What is the SMILES notation for 3,4-bis[bis(prop-2-enyl)amino]butanoic acid?
The canonical SMILES for 3,4-bis[bis(prop-2-enyl)amino]butanoic acid is C=CCN(CC=C)CC(CC(=O)O)N(CC=C)CC=C.
What is the InChIKey of 3,4-bis[bis(prop-2-enyl)amino]butanoic acid?
The InChIKey is IZUCNZXTGSCVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-9-17(10-6-2)14-15(13-16(19)20)18(11-7-3)12-8-4/h5-8,15H,1-4,9-14H2,(H,19,20).
What are the key properties of 3,4-bis[bis(prop-2-enyl)amino]butanoic acid?
3,4-bis[bis(prop-2-enyl)amino]butanoic acid has a molecular weight of 278.40 g/mol, XLogP of 2.18, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis[bis(prop-2-enyl)amino]butanoic acid is sourced from PubChem (CID 118195049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).