2-[2-[(Z)-3-aminobut-2-enoyl]oxypropoxy]propyl (Z)-3-aminobut-2-enoate

C14H24N2O5 — CID 101276428

IUPAC2-[2-[(Z)-3-aminobut-2-enoyl]oxypropoxy]propyl (Z)-3-aminobut-2-enoate
SMILESC/C(N)=C/C(=O)OCC(C)OCC(C)OC(=O)/C=C(/C)N
InChIInChI=1S/C14H24N2O5/c1-9(15)5-13(17)20-7-11(3)19-8-12(4)21-14(18)6-10(2)16/h5-6,11-12H,7-8,15-16H2,1-4H3/b9-5-,10-6-
InChIKeySEWKEVGSDCNJFP-OZDSWYPASA-N
MW300.36 g/mol
LogP0.59
Rot. Bonds8

About 2-[2-[(Z)-3-aminobut-2-enoyl]oxypropoxy]propyl (Z)-3-aminobut-2-enoate

2-[2-[(Z)-3-aminobut-2-enoyl]oxypropoxy]propyl (Z)-3-aminobut-2-enoate (PubChem CID 101276428) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[2-[(Z)-3-aminobut-2-enoyl]oxypropoxy]propyl (Z)-3-aminobut-2-enoate.

Molecular Properties

Compound Name2-[2-[(Z)-3-aminobut-2-enoyl]oxypropoxy]propyl (Z)-3-aminobut-2-enoate
PubChem CID101276428
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name2-[2-[(Z)-3-aminobut-2-enoyl]oxypropoxy]propyl (Z)-3-aminobut-2-enoate
SMILESC/C(N)=C/C(=O)OCC(C)OCC(C)OC(=O)/C=C(/C)N
InChIInChI=1S/C14H24N2O5/c1-9(15)5-13(17)20-7-11(3)19-8-12(4)21-14(18)6-10(2)16/h5-6,11-12H,7-8,15-16H2,1-4H3/b9-5-,10-6-
InChIKeySEWKEVGSDCNJFP-OZDSWYPASA-N
XLogP0.59
TPSA113.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate
CID 139889526
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl prop-2-enoate
CID 121420632
1-phenylpropan-2-yl 3-aminobut-2-enoate
CID 70398022
2-[2,3-bis(2-prop-2-enoyloxypropoxy)propoxy]propyl prop-2-enoate
CID 146608012
2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl 2-methylprop-2-enoate
CID 18762108
1-O-[1-(1-prop-2-enoxypropan-2-yloxy)propan-2-yl] 2-O-[1-(1-prop-2-enoyloxypropan-2-yloxy)propan-2-yl] oxalate
CID 146180705
2-[2-[2-(2-hydroxypropanoyloxy)propoxy]propoxy]propyl 2-hydroxypropanoate
CID 87122386
methane;2-prop-2-enoyloxypropyl prop-2-enoate
CID 161351901
2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propyl prop-2-enoate
CID 21458421
(E)-4-[2-[(E)-3-carboxyprop-2-enoyl]oxypropoxy]-4-oxobut-2-enoic acid
CID 6446969
1-acetyloxypropan-2-yl prop-2-enoate
CID 87413306
1-[1-[1-(2-methylpropoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl acetate
CID 87296802

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(Z)-3-aminobut-2-enoyl]oxypropoxy]propyl (Z)-3-aminobut-2-enoate?
The IUPAC name of 2-[2-[(Z)-3-aminobut-2-enoyl]oxypropoxy]propyl (Z)-3-aminobut-2-enoate (CID 101276428) is 2-[2-[(Z)-3-aminobut-2-enoyl]oxypropoxy]propyl (Z)-3-aminobut-2-enoate.
What is the SMILES notation for 2-[2-[(Z)-3-aminobut-2-enoyl]oxypropoxy]propyl (Z)-3-aminobut-2-enoate?
The canonical SMILES for 2-[2-[(Z)-3-aminobut-2-enoyl]oxypropoxy]propyl (Z)-3-aminobut-2-enoate is C/C(N)=C/C(=O)OCC(C)OCC(C)OC(=O)/C=C(/C)N.
What is the InChIKey of 2-[2-[(Z)-3-aminobut-2-enoyl]oxypropoxy]propyl (Z)-3-aminobut-2-enoate?
The InChIKey is SEWKEVGSDCNJFP-OZDSWYPASA-N. The full InChI is InChI=1S/C14H24N2O5/c1-9(15)5-13(17)20-7-11(3)19-8-12(4)21-14(18)6-10(2)16/h5-6,11-12H,7-8,15-16H2,1-4H3/b9-5-,10-6-.
What are the key properties of 2-[2-[(Z)-3-aminobut-2-enoyl]oxypropoxy]propyl (Z)-3-aminobut-2-enoate?
2-[2-[(Z)-3-aminobut-2-enoyl]oxypropoxy]propyl (Z)-3-aminobut-2-enoate has a molecular weight of 300.36 g/mol, XLogP of 0.59, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(Z)-3-aminobut-2-enoyl]oxypropoxy]propyl (Z)-3-aminobut-2-enoate is sourced from PubChem (CID 101276428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).