ethyl (E)-4-(morpholin-4-ylamino)but-2-enoate

C10H18N2O3 — CID 83021172

IUPACethyl (E)-4-(morpholin-4-ylamino)but-2-enoate
SMILESCCOC(=O)/C=C/CNN1CCOCC1
InChIInChI=1S/C10H18N2O3/c1-2-15-10(13)4-3-5-11-12-6-8-14-9-7-12/h3-4,11H,2,5-9H2,1H3/b4-3+
InChIKeyHBPADLDZZYGJPN-ONEGZZNKSA-N
MW214.26 g/mol
LogP-0.06
Rot. Bonds5

About ethyl (E)-4-(morpholin-4-ylamino)but-2-enoate

ethyl (E)-4-(morpholin-4-ylamino)but-2-enoate (PubChem CID 83021172) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is ethyl (E)-4-(morpholin-4-ylamino)but-2-enoate.

Molecular Properties

Compound Nameethyl (E)-4-(morpholin-4-ylamino)but-2-enoate
PubChem CID83021172
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Nameethyl (E)-4-(morpholin-4-ylamino)but-2-enoate
SMILESCCOC(=O)/C=C/CNN1CCOCC1
InChIInChI=1S/C10H18N2O3/c1-2-15-10(13)4-3-5-11-12-6-8-14-9-7-12/h3-4,11H,2,5-9H2,1H3/b4-3+
InChIKeyHBPADLDZZYGJPN-ONEGZZNKSA-N
XLogP-0.06
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-4-(morpholin-4-ylamino)but-2-enoate?
The IUPAC name of ethyl (E)-4-(morpholin-4-ylamino)but-2-enoate (CID 83021172) is ethyl (E)-4-(morpholin-4-ylamino)but-2-enoate.
What is the SMILES notation for ethyl (E)-4-(morpholin-4-ylamino)but-2-enoate?
The canonical SMILES for ethyl (E)-4-(morpholin-4-ylamino)but-2-enoate is CCOC(=O)/C=C/CNN1CCOCC1.
What is the InChIKey of ethyl (E)-4-(morpholin-4-ylamino)but-2-enoate?
The InChIKey is HBPADLDZZYGJPN-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-2-15-10(13)4-3-5-11-12-6-8-14-9-7-12/h3-4,11H,2,5-9H2,1H3/b4-3+.
What are the key properties of ethyl (E)-4-(morpholin-4-ylamino)but-2-enoate?
ethyl (E)-4-(morpholin-4-ylamino)but-2-enoate has a molecular weight of 214.26 g/mol, XLogP of -0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-4-(morpholin-4-ylamino)but-2-enoate is sourced from PubChem (CID 83021172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).