4-(diethylamino)-2-methylidenebutanoic acid;5-(diethylamino)-2-methylidenepentanoic acid

C19H36N2O4 — CID 87949068

IUPAC4-(diethylamino)-2-methylidenebutanoic acid;5-(diethylamino)-2-methylidenepentanoic acid
SMILESC=C(CCCN(CC)CC)C(=O)O.C=C(CCN(CC)CC)C(=O)O
InChIInChI=1S/C10H19NO2.C9H17NO2/c1-4-11(5-2)8-6-7-9(3)10(12)13;1-4-10(5-2)7-6-8(3)9(11)12/h3-8H2,1-2H3,(H,12,13);3-7H2,1-2H3,(H,11,12)
InChIKeyRGXKQCNFLBCEQX-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.11
Rot. Bonds13

About 4-(diethylamino)-2-methylidenebutanoic acid;5-(diethylamino)-2-methylidenepentanoic acid

4-(diethylamino)-2-methylidenebutanoic acid;5-(diethylamino)-2-methylidenepentanoic acid (PubChem CID 87949068) has the molecular formula C19H36N2O4 and a molecular weight of 356.51 g/mol. Its IUPAC name is 4-(diethylamino)-2-methylidenebutanoic acid;5-(diethylamino)-2-methylidenepentanoic acid.

Molecular Properties

Compound Name4-(diethylamino)-2-methylidenebutanoic acid;5-(diethylamino)-2-methylidenepentanoic acid
PubChem CID87949068
Molecular FormulaC19H36N2O4
Molecular Weight356.51 g/mol
Exact Mass356.27
IUPAC Name4-(diethylamino)-2-methylidenebutanoic acid;5-(diethylamino)-2-methylidenepentanoic acid
SMILESC=C(CCCN(CC)CC)C(=O)O.C=C(CCN(CC)CC)C(=O)O
InChIInChI=1S/C10H19NO2.C9H17NO2/c1-4-11(5-2)8-6-7-9(3)10(12)13;1-4-10(5-2)7-6-8(3)9(11)12/h3-8H2,1-2H3,(H,12,13);3-7H2,1-2H3,(H,11,12)
InChIKeyRGXKQCNFLBCEQX-UHFFFAOYSA-N
XLogP3.11
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(diethylamino)-2-methylidenebutanoic acid;5-(diethylamino)-2-methylidenepentanoic acid 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

14-(diethylamino)-2-methylidenetetradecanoic acid
CID 54053311
4-(dihexylamino)-2-methylidenebutanoic acid
CID 54357423
5-(dioctylamino)-2-methylidenepentanoic acid
CID 22725816
ethane;2-methylidenehexanoic acid
CID 162072915
2-methylidenehexanoic acid;zinc
CID 174824467
4-[2-carboxyethyl(ethyl)amino]butanoic acid
CID 82330570
[5-(diethylamino)-2-methylidenepentanoyl]oxy-oxidoazanium
CID 88802613
3-[3-(diethylamino)propyl-(2-methylprop-2-enyl)amino]propanoic acid
CID 82329754
2,11-dimethylidenedodecanedioic acid
CID 20542368
2-methylidenedecanoic acid;2-methylideneundecanoic acid
CID 87527808
4-(dimethylamino)-2-methylidenebutanoic acid;hydrochloride
CID 87206674
5-[bis(oxiran-2-ylmethyl)amino]-2-methylidenepentanoic acid
CID 87383142

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-2-methylidenebutanoic acid;5-(diethylamino)-2-methylidenepentanoic acid?
The IUPAC name of 4-(diethylamino)-2-methylidenebutanoic acid;5-(diethylamino)-2-methylidenepentanoic acid (CID 87949068) is 4-(diethylamino)-2-methylidenebutanoic acid;5-(diethylamino)-2-methylidenepentanoic acid.
What is the SMILES notation for 4-(diethylamino)-2-methylidenebutanoic acid;5-(diethylamino)-2-methylidenepentanoic acid?
The canonical SMILES for 4-(diethylamino)-2-methylidenebutanoic acid;5-(diethylamino)-2-methylidenepentanoic acid is C=C(CCCN(CC)CC)C(=O)O.C=C(CCN(CC)CC)C(=O)O.
What is the InChIKey of 4-(diethylamino)-2-methylidenebutanoic acid;5-(diethylamino)-2-methylidenepentanoic acid?
The InChIKey is RGXKQCNFLBCEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C9H17NO2/c1-4-11(5-2)8-6-7-9(3)10(12)13;1-4-10(5-2)7-6-8(3)9(11)12/h3-8H2,1-2H3,(H,12,13);3-7H2,1-2H3,(H,11,12).
What are the key properties of 4-(diethylamino)-2-methylidenebutanoic acid;5-(diethylamino)-2-methylidenepentanoic acid?
4-(diethylamino)-2-methylidenebutanoic acid;5-(diethylamino)-2-methylidenepentanoic acid has a molecular weight of 356.51 g/mol, XLogP of 3.11, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-2-methylidenebutanoic acid;5-(diethylamino)-2-methylidenepentanoic acid is sourced from PubChem (CID 87949068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).