2-[2-[2-[2-[4-[[(Z)-but-2-enoyl]-formylamino]butanoylamino]ethoxy]ethoxy]ethoxy]acetic acid

C17H28N2O8 — CID 167261936

IUPAC2-[2-[2-[2-[4-[[(Z)-but-2-enoyl]-formylamino]butanoylamino]ethoxy]ethoxy]ethoxy]acetic acid
SMILESC/C=C\C(=O)N(C=O)CCCC(=O)NCCOCCOCCOCC(=O)O
InChIInChI=1S/C17H28N2O8/c1-2-4-16(22)19(14-20)7-3-5-15(21)18-6-8-25-9-10-26-11-12-27-13-17(23)24/h2,4,14H,3,5-13H2,1H3,(H,18,21)(H,23,24)/b4-2-
InChIKeyCXBDRVMFEOGXLH-RQOWECAXSA-N
MW388.42 g/mol
LogP-0.42
Rot. Bonds17

About 2-[2-[2-[2-[4-[[(Z)-but-2-enoyl]-formylamino]butanoylamino]ethoxy]ethoxy]ethoxy]acetic acid

2-[2-[2-[2-[4-[[(Z)-but-2-enoyl]-formylamino]butanoylamino]ethoxy]ethoxy]ethoxy]acetic acid (PubChem CID 167261936) has the molecular formula C17H28N2O8 and a molecular weight of 388.42 g/mol. Its IUPAC name is 2-[2-[2-[2-[4-[[(Z)-but-2-enoyl]-formylamino]butanoylamino]ethoxy]ethoxy]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[2-[4-[[(Z)-but-2-enoyl]-formylamino]butanoylamino]ethoxy]ethoxy]ethoxy]acetic acid
PubChem CID167261936
Molecular FormulaC17H28N2O8
Molecular Weight388.42 g/mol
Exact Mass388.18
IUPAC Name2-[2-[2-[2-[4-[[(Z)-but-2-enoyl]-formylamino]butanoylamino]ethoxy]ethoxy]ethoxy]acetic acid
SMILESC/C=C\C(=O)N(C=O)CCCC(=O)NCCOCCOCCOCC(=O)O
InChIInChI=1S/C17H28N2O8/c1-2-4-16(22)19(14-20)7-3-5-15(21)18-6-8-25-9-10-26-11-12-27-13-17(23)24/h2,4,14H,3,5-13H2,1H3,(H,18,21)(H,23,24)/b4-2-
InChIKeyCXBDRVMFEOGXLH-RQOWECAXSA-N
XLogP-0.42
TPSA131.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(hexadecanoylamino)ethoxy]acetic acid
CID 3017701
2-[2-(5-aminopentanoylamino)ethoxy]acetic acid
CID 79457859
6-[3-[[(Z)-but-2-enoyl]-formylamino]propanoylamino]-N-[6-(3-methylsulfanylpropanoylamino)hexyl]hexanamide
CID 144842603
11-[[2-[2-[2-(6-carboxyhexanoylamino)ethoxy]ethoxy]acetyl]amino]undecanoic acid;(Z)-prop-1-en-1-amine
CID 170598132
2-[2-[2-[(2-chloroacetyl)amino]ethoxy]ethoxy]acetic acid
CID 163273323
5-oxo-5-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid
CID 130440881
2-[bis[2-[carboxymethyl-[2-[2-[2-[2-(octadecanoylamino)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]ethyl]amino]acetic acid
CID 71308393
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(decanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]acetic acid
CID 175751113
2-[2-(carboxymethoxy)ethyl-[2-(hexanoylamino)ethyl]amino]acetic acid
CID 135346649
18-[4-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]butylamino]-18-oxooctadecanoic acid
CID 123545676
16-[2-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethoxy]ethylamino]-16-oxohexadecanoic acid
CID 167312728
20-[2-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethoxy]ethylamino]-20-oxoicosanoic acid
CID 167312677

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[4-[[(Z)-but-2-enoyl]-formylamino]butanoylamino]ethoxy]ethoxy]ethoxy]acetic acid?
The IUPAC name of 2-[2-[2-[2-[4-[[(Z)-but-2-enoyl]-formylamino]butanoylamino]ethoxy]ethoxy]ethoxy]acetic acid (CID 167261936) is 2-[2-[2-[2-[4-[[(Z)-but-2-enoyl]-formylamino]butanoylamino]ethoxy]ethoxy]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-[2-[4-[[(Z)-but-2-enoyl]-formylamino]butanoylamino]ethoxy]ethoxy]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-[2-[4-[[(Z)-but-2-enoyl]-formylamino]butanoylamino]ethoxy]ethoxy]ethoxy]acetic acid is C/C=C\C(=O)N(C=O)CCCC(=O)NCCOCCOCCOCC(=O)O.
What is the InChIKey of 2-[2-[2-[2-[4-[[(Z)-but-2-enoyl]-formylamino]butanoylamino]ethoxy]ethoxy]ethoxy]acetic acid?
The InChIKey is CXBDRVMFEOGXLH-RQOWECAXSA-N. The full InChI is InChI=1S/C17H28N2O8/c1-2-4-16(22)19(14-20)7-3-5-15(21)18-6-8-25-9-10-26-11-12-27-13-17(23)24/h2,4,14H,3,5-13H2,1H3,(H,18,21)(H,23,24)/b4-2-.
What are the key properties of 2-[2-[2-[2-[4-[[(Z)-but-2-enoyl]-formylamino]butanoylamino]ethoxy]ethoxy]ethoxy]acetic acid?
2-[2-[2-[2-[4-[[(Z)-but-2-enoyl]-formylamino]butanoylamino]ethoxy]ethoxy]ethoxy]acetic acid has a molecular weight of 388.42 g/mol, XLogP of -0.42, 17 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[4-[[(Z)-but-2-enoyl]-formylamino]butanoylamino]ethoxy]ethoxy]ethoxy]acetic acid is sourced from PubChem (CID 167261936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).