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

C11H17NO2 — CID 77074022

IUPAC4-[bis(prop-2-enyl)amino]-2-methylbut-2-enoic acid
SMILESC=CCN(CC=C)CC=C(C)C(=O)O
InChIInChI=1S/C11H17NO2/c1-4-7-12(8-5-2)9-6-10(3)11(13)14/h4-6H,1-2,7-9H2,3H3,(H,13,14)
InChIKeyBUMZKVJAZUASEF-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.69
Rot. Bonds7

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

4-[bis(prop-2-enyl)amino]-2-methylbut-2-enoic acid (PubChem CID 77074022) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 4-[bis(prop-2-enyl)amino]-2-methylbut-2-enoic acid.

Molecular Properties

Compound Name4-[bis(prop-2-enyl)amino]-2-methylbut-2-enoic acid
PubChem CID77074022
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name4-[bis(prop-2-enyl)amino]-2-methylbut-2-enoic acid
SMILESC=CCN(CC=C)CC=C(C)C(=O)O
InChIInChI=1S/C11H17NO2/c1-4-7-12(8-5-2)9-6-10(3)11(13)14/h4-6H,1-2,7-9H2,3H3,(H,13,14)
InChIKeyBUMZKVJAZUASEF-UHFFFAOYSA-N
XLogP1.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,N-bis(prop-2-enyl)prop-2-en-1-amine;carbonic acid
CID 173029925
(Z)-4-[hydroxy(methyl)amino]-2-methylbut-2-enoic acid
CID 131276688
(Z)-4-[3-(diethylamino)propyl-ethylamino]-2-methylbut-2-enoic acid
CID 102994735
4-[butyl(ethyl)amino]-2-methylbut-2-enoic acid
CID 77074839
4-[ethyl(2-ethylbutyl)amino]-2-methylbut-2-enoic acid
CID 77076086
4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-methylbut-2-enoic acid
CID 79387617
(E)-4-[formyl(methyl)amino]-2-methylbut-2-enoic acid
CID 142813747
4-[ethyl(methyl)amino]-2-methylbut-2-enoic acid
CID 77075837
4-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-methylbut-2-enoic acid
CID 77074530
4-[bis(prop-2-enyl)amino]-2-methylhex-2-enoic acid
CID 173035693
4-[2-hydroxyethyl(methyl)amino]-2-methylbut-2-enoic acid
CID 77075072
2-methyl-4-[methyl(propyl)amino]but-2-enoic acid
CID 77076306

Frequently Asked Questions

What is the IUPAC name of 4-[bis(prop-2-enyl)amino]-2-methylbut-2-enoic acid?
The IUPAC name of 4-[bis(prop-2-enyl)amino]-2-methylbut-2-enoic acid (CID 77074022) is 4-[bis(prop-2-enyl)amino]-2-methylbut-2-enoic acid.
What is the SMILES notation for 4-[bis(prop-2-enyl)amino]-2-methylbut-2-enoic acid?
The canonical SMILES for 4-[bis(prop-2-enyl)amino]-2-methylbut-2-enoic acid is C=CCN(CC=C)CC=C(C)C(=O)O.
What is the InChIKey of 4-[bis(prop-2-enyl)amino]-2-methylbut-2-enoic acid?
The InChIKey is BUMZKVJAZUASEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-4-7-12(8-5-2)9-6-10(3)11(13)14/h4-6H,1-2,7-9H2,3H3,(H,13,14).
What are the key properties of 4-[bis(prop-2-enyl)amino]-2-methylbut-2-enoic acid?
4-[bis(prop-2-enyl)amino]-2-methylbut-2-enoic acid has a molecular weight of 195.26 g/mol, XLogP of 1.69, 7 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]-2-methylbut-2-enoic acid is sourced from PubChem (CID 77074022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).