(Z)-4-(2-but-3-enoxyethylamino)-2-methylbut-2-enoic acid

C11H19NO3 — CID 106402209

IUPAC(Z)-4-(2-but-3-enoxyethylamino)-2-methylbut-2-enoic acid
SMILESC=CCCOCCNC/C=C(/C)C(=O)O
InChIInChI=1S/C11H19NO3/c1-3-4-8-15-9-7-12-6-5-10(2)11(13)14/h3,5,12H,1,4,6-9H2,2H3,(H,13,14)/b10-5-
InChIKeyPFTHOYUZMYVAED-YHYXMXQVSA-N
MW213.28 g/mol
LogP1.20
Rot. Bonds9

About (Z)-4-(2-but-3-enoxyethylamino)-2-methylbut-2-enoic acid

(Z)-4-(2-but-3-enoxyethylamino)-2-methylbut-2-enoic acid (PubChem CID 106402209) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (Z)-4-(2-but-3-enoxyethylamino)-2-methylbut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-(2-but-3-enoxyethylamino)-2-methylbut-2-enoic acid
PubChem CID106402209
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(Z)-4-(2-but-3-enoxyethylamino)-2-methylbut-2-enoic acid
SMILESC=CCCOCCNC/C=C(/C)C(=O)O
InChIInChI=1S/C11H19NO3/c1-3-4-8-15-9-7-12-6-5-10(2)11(13)14/h3,5,12H,1,4,6-9H2,2H3,(H,13,14)/b10-5-
InChIKeyPFTHOYUZMYVAED-YHYXMXQVSA-N
XLogP1.20
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]but-2-enoic acid
CID 103251690
2-Ethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]but-2-enoic acid
CID 103251707
4-[2-(2,2-Difluoroethoxy)ethylamino]-2-ethylbut-2-enoic acid
CID 105917408
4-[2-(2,2-Difluoroethoxy)ethylamino]-2-methylbut-2-enoic acid
CID 105917486
2-Methylpent-2-enoic acid;morpholine
CID 66887460
2-[(1-Hydroxy-2-methylbut-2-enyl)amino]ethyl 2-methylprop-2-enoate
CID 170273664
2-[(1-Hydroxy-2-methylbut-2-enyl)amino]ethyl prop-2-enoate
CID 170273670
(Z)-4-(2-ethoxyethylamino)-2-methylbut-2-enoic acid
CID 103230091
(E)-4-(2-ethoxyethylamino)but-2-enoic acid
CID 103230104
4-(2-Ethoxyethylamino)-3-methylbut-2-enoic acid
CID 103230106
(Z)-4-(2-ethoxyethylamino)-2-ethylbut-2-enoic acid
CID 103230114
(Z)-4-(2-methoxyethylamino)-2-methylbut-2-enoic acid
CID 103230935

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(2-but-3-enoxyethylamino)-2-methylbut-2-enoic acid?
The IUPAC name of (Z)-4-(2-but-3-enoxyethylamino)-2-methylbut-2-enoic acid (CID 106402209) is (Z)-4-(2-but-3-enoxyethylamino)-2-methylbut-2-enoic acid.
What is the SMILES notation for (Z)-4-(2-but-3-enoxyethylamino)-2-methylbut-2-enoic acid?
The canonical SMILES for (Z)-4-(2-but-3-enoxyethylamino)-2-methylbut-2-enoic acid is C=CCCOCCNC/C=C(/C)C(=O)O.
What is the InChIKey of (Z)-4-(2-but-3-enoxyethylamino)-2-methylbut-2-enoic acid?
The InChIKey is PFTHOYUZMYVAED-YHYXMXQVSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-4-8-15-9-7-12-6-5-10(2)11(13)14/h3,5,12H,1,4,6-9H2,2H3,(H,13,14)/b10-5-.
What are the key properties of (Z)-4-(2-but-3-enoxyethylamino)-2-methylbut-2-enoic acid?
(Z)-4-(2-but-3-enoxyethylamino)-2-methylbut-2-enoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.20, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(2-but-3-enoxyethylamino)-2-methylbut-2-enoic acid is sourced from PubChem (CID 106402209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).