(Z)-4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]oxy-4-oxobut-2-enoic acid

C14H26N2O7 — CID 118402520

IUPAC(Z)-4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]oxy-4-oxobut-2-enoic acid
SMILESNCCCOCCOCCOCCCNOC(=O)/C=C\C(=O)O
InChIInChI=1S/C14H26N2O7/c15-5-1-7-20-9-11-22-12-10-21-8-2-6-16-23-14(19)4-3-13(17)18/h3-4,16H,1-2,5-12,15H2,(H,17,18)/b4-3-
InChIKeyVILZJTCOYNCFRK-ARJAWSKDSA-N
MW334.37 g/mol
LogP-0.54
Rot. Bonds16

About (Z)-4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]oxy-4-oxobut-2-enoic acid

(Z)-4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]oxy-4-oxobut-2-enoic acid (PubChem CID 118402520) has the molecular formula C14H26N2O7 and a molecular weight of 334.37 g/mol. Its IUPAC name is (Z)-4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]oxy-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]oxy-4-oxobut-2-enoic acid
PubChem CID118402520
Molecular FormulaC14H26N2O7
Molecular Weight334.37 g/mol
Exact Mass334.17
IUPAC Name(Z)-4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]oxy-4-oxobut-2-enoic acid
SMILESNCCCOCCOCCOCCCNOC(=O)/C=C\C(=O)O
InChIInChI=1S/C14H26N2O7/c15-5-1-7-20-9-11-22-12-10-21-8-2-6-16-23-14(19)4-3-13(17)18/h3-4,16H,1-2,5-12,15H2,(H,17,18)/b4-3-
InChIKeyVILZJTCOYNCFRK-ARJAWSKDSA-N
XLogP-0.54
TPSA129.34 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propoxy]-4-oxobut-2-enoic acid
CID 138497393
4-O-(2-aminoethylamino) 1-O-methyl (E)-but-2-enedioate
CID 130312327
2-amino-N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]acetamide
CID 123586963
4-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobut-2-enoic acid
CID 57356593
4-(2-decoxyethoxy)-4-oxobut-2-enoic acid
CID 154239717
(Z)-4-(2-octadecoxyethoxy)-4-oxobut-2-enoic acid
CID 139634873
(Z)-4-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobut-2-enoic acid
CID 88739197
(Z)-4-oxo-4-[2-[2-(2-propoxyethoxy)ethyl]hydrazinyl]oxybut-2-enoic acid
CID 122650241
(E)-4-[2-[(E)-3-carboxyprop-2-enoyl]oxyethoxy]-4-oxobut-2-enoic acid
CID 6436495
3-[2-[2-(3-azaniumylpropoxy)ethoxy]ethoxy]propylazanium;(Z)-but-2-enedioic acid
CID 142314539
bis(hexylamino) (Z)-but-2-enedioate
CID 174812524
N'-(3-aminopropyl)butane-1,4-diamine;but-2-enedioic acid
CID 173087831

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]oxy-4-oxobut-2-enoic acid?
The IUPAC name of (Z)-4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]oxy-4-oxobut-2-enoic acid (CID 118402520) is (Z)-4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]oxy-4-oxobut-2-enoic acid.
What is the SMILES notation for (Z)-4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]oxy-4-oxobut-2-enoic acid?
The canonical SMILES for (Z)-4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]oxy-4-oxobut-2-enoic acid is NCCCOCCOCCOCCCNOC(=O)/C=C\C(=O)O.
What is the InChIKey of (Z)-4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]oxy-4-oxobut-2-enoic acid?
The InChIKey is VILZJTCOYNCFRK-ARJAWSKDSA-N. The full InChI is InChI=1S/C14H26N2O7/c15-5-1-7-20-9-11-22-12-10-21-8-2-6-16-23-14(19)4-3-13(17)18/h3-4,16H,1-2,5-12,15H2,(H,17,18)/b4-3-.
What are the key properties of (Z)-4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]oxy-4-oxobut-2-enoic acid?
(Z)-4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]oxy-4-oxobut-2-enoic acid has a molecular weight of 334.37 g/mol, XLogP of -0.54, 16 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]oxy-4-oxobut-2-enoic acid is sourced from PubChem (CID 118402520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).