methyl (E)-4-[methoxy(pentanoyl)amino]but-2-enoate

C11H19NO4 — CID 10537367

IUPACmethyl (E)-4-[methoxy(pentanoyl)amino]but-2-enoate
SMILESCCCCC(=O)N(C/C=C/C(=O)OC)OC
InChIInChI=1S/C11H19NO4/c1-4-5-7-10(13)12(16-3)9-6-8-11(14)15-2/h6,8H,4-5,7,9H2,1-3H3/b8-6+
InChIKeyAIPWTTOOOKMEKA-SOFGYWHQSA-N
MW229.28 g/mol
LogP1.30
Rot. Bonds7

About methyl (E)-4-[methoxy(pentanoyl)amino]but-2-enoate

methyl (E)-4-[methoxy(pentanoyl)amino]but-2-enoate (PubChem CID 10537367) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl (E)-4-[methoxy(pentanoyl)amino]but-2-enoate.

Molecular Properties

Compound Namemethyl (E)-4-[methoxy(pentanoyl)amino]but-2-enoate
PubChem CID10537367
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Namemethyl (E)-4-[methoxy(pentanoyl)amino]but-2-enoate
SMILESCCCCC(=O)N(C/C=C/C(=O)OC)OC
InChIInChI=1S/C11H19NO4/c1-4-5-7-10(13)12(16-3)9-6-8-11(14)15-2/h6,8H,4-5,7,9H2,1-3H3/b8-6+
InChIKeyAIPWTTOOOKMEKA-SOFGYWHQSA-N
XLogP1.30
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-hept-2-enoate
CID 5368087
carbon monoxide;iron;methyl (E)-octadec-2-enoate
CID 11080605
(Z)-hexadec-9-enal;methyl (2E,11Z)-octadeca-2,11-dienoate
CID 157382791
methyl (E)-5-hydroxydec-2-enoate
CID 134979817
dimethyl (2E,5E)-hepta-2,5-dienedioate
CID 23523209
methyl (E)-4-[[(E)-4-methoxy-4-oxobut-2-enyl]-prop-2-enylamino]but-2-enoate
CID 11448154
dimethyl 3,4-dipropylhexa-2,4-dienedioate
CID 606910
methyl (E)-4-[ethoxycarbonyl-(ethoxycarbonylamino)amino]but-2-enoate
CID 14352870
methyl 3-iodohept-2-enoate
CID 71346581
methyl (2E,4E,6E)-undeca-2,4,6-trienoate
CID 21044545
bis((E)-4-(dimethylamino)but-2-enoic acid);methyl (E)-4-(dimethylamino)but-2-enoate;dihydrochloride
CID 159888190
methyl (E)-4-hydroxyoct-2-enoate
CID 12872059

Frequently Asked Questions

What is the IUPAC name of methyl (E)-4-[methoxy(pentanoyl)amino]but-2-enoate?
The IUPAC name of methyl (E)-4-[methoxy(pentanoyl)amino]but-2-enoate (CID 10537367) is methyl (E)-4-[methoxy(pentanoyl)amino]but-2-enoate.
What is the SMILES notation for methyl (E)-4-[methoxy(pentanoyl)amino]but-2-enoate?
The canonical SMILES for methyl (E)-4-[methoxy(pentanoyl)amino]but-2-enoate is CCCCC(=O)N(C/C=C/C(=O)OC)OC.
What is the InChIKey of methyl (E)-4-[methoxy(pentanoyl)amino]but-2-enoate?
The InChIKey is AIPWTTOOOKMEKA-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H19NO4/c1-4-5-7-10(13)12(16-3)9-6-8-11(14)15-2/h6,8H,4-5,7,9H2,1-3H3/b8-6+.
What are the key properties of methyl (E)-4-[methoxy(pentanoyl)amino]but-2-enoate?
methyl (E)-4-[methoxy(pentanoyl)amino]but-2-enoate has a molecular weight of 229.28 g/mol, XLogP of 1.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-4-[methoxy(pentanoyl)amino]but-2-enoate is sourced from PubChem (CID 10537367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).