(Z)-but-2-enedioic acid;2-(dimethylamino)-2-methylpropan-1-ol

C10H19NO5 — CID 6437164

IUPAC(Z)-but-2-enedioic acid;2-(dimethylamino)-2-methylpropan-1-ol
SMILESCN(C)C(C)(C)CO.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C6H15NO.C4H4O4/c1-6(2,5-8)7(3)4;5-3(6)1-2-4(7)8/h8H,5H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyRQCQIRYIZGPBET-BTJKTKAUSA-N
MW233.26 g/mol
LogP0.03
Rot. Bonds4

About (Z)-but-2-enedioic acid;2-(dimethylamino)-2-methylpropan-1-ol

(Z)-but-2-enedioic acid;2-(dimethylamino)-2-methylpropan-1-ol (PubChem CID 6437164) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;2-(dimethylamino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;2-(dimethylamino)-2-methylpropan-1-ol
PubChem CID6437164
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name(Z)-but-2-enedioic acid;2-(dimethylamino)-2-methylpropan-1-ol
SMILESCN(C)C(C)(C)CO.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C6H15NO.C4H4O4/c1-6(2,5-8)7(3)4;5-3(6)1-2-4(7)8/h8H,5H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKeyRQCQIRYIZGPBET-BTJKTKAUSA-N
XLogP0.03
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-but-2-enedioic acid;2-(dimethylamino)-2-methylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Propanol, 2-(dimethylamino)-2-methyl-, (2Z)-2-butenedioate (1:1)
CID 90474710
Tris(2-hydroxyethyl)ammonium hydrogen maleate
CID 6451725
2-(Dimethylamino)-2-methylpropan-1-ol;prop-2-enoic acid
CID 44153862
Choline maleate
CID 87376612
2-[bis(2-hydroxyethyl)amino]ethanol;(E)-but-2-enedioic acid
CID 23431539
But-2-enedioic acid;2-(dimethylamino)-2-methylpropan-1-ol
CID 105906
(1-Hydroxy-2-methylpropan-2-yl)-dimethylazanium;4-hydroxy-4-oxobut-2-enoate
CID 71439646
(Z)-but-2-enedioate;(1-hydroxy-2-methylpropan-2-yl)-dimethylazanium
CID 139596969
(E)-but-2-enedioic acid;2-hydroxyethyl(trimethyl)azanium
CID 9920861
(Z)-but-2-enedioic acid;2-(dimethylamino)ethanol
CID 10176621
(E)-but-2-enedioate;bis(2-hydroxyethyl(trimethyl)azanium)
CID 19005304
But-2-enedioate;bis(2-hydroxyethyl(trimethyl)azanium)
CID 73508275

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;2-(dimethylamino)-2-methylpropan-1-ol?
The IUPAC name of (Z)-but-2-enedioic acid;2-(dimethylamino)-2-methylpropan-1-ol (CID 6437164) is (Z)-but-2-enedioic acid;2-(dimethylamino)-2-methylpropan-1-ol.
What is the SMILES notation for (Z)-but-2-enedioic acid;2-(dimethylamino)-2-methylpropan-1-ol?
The canonical SMILES for (Z)-but-2-enedioic acid;2-(dimethylamino)-2-methylpropan-1-ol is CN(C)C(C)(C)CO.O=C(O)/C=C\C(=O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;2-(dimethylamino)-2-methylpropan-1-ol?
The InChIKey is RQCQIRYIZGPBET-BTJKTKAUSA-N. The full InChI is InChI=1S/C6H15NO.C4H4O4/c1-6(2,5-8)7(3)4;5-3(6)1-2-4(7)8/h8H,5H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1-.
What are the key properties of (Z)-but-2-enedioic acid;2-(dimethylamino)-2-methylpropan-1-ol?
(Z)-but-2-enedioic acid;2-(dimethylamino)-2-methylpropan-1-ol has a molecular weight of 233.26 g/mol, XLogP of 0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;2-(dimethylamino)-2-methylpropan-1-ol is sourced from PubChem (CID 6437164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).