ethyl (E)-3-(morpholin-2-ylamino)prop-2-enoate

C9H16N2O3 — CID 70393118

IUPACethyl (E)-3-(morpholin-2-ylamino)prop-2-enoate
SMILESCCOC(=O)/C=C/NC1CNCCO1
InChIInChI=1S/C9H16N2O3/c1-2-13-9(12)3-4-11-8-7-10-5-6-14-8/h3-4,8,10-11H,2,5-7H2,1H3/b4-3+
InChIKeyCZDNNYDMXGLSND-ONEGZZNKSA-N
MW200.24 g/mol
LogP-0.40
Rot. Bonds4

About ethyl (E)-3-(morpholin-2-ylamino)prop-2-enoate

ethyl (E)-3-(morpholin-2-ylamino)prop-2-enoate (PubChem CID 70393118) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is ethyl (E)-3-(morpholin-2-ylamino)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(morpholin-2-ylamino)prop-2-enoate
PubChem CID70393118
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Nameethyl (E)-3-(morpholin-2-ylamino)prop-2-enoate
SMILESCCOC(=O)/C=C/NC1CNCCO1
InChIInChI=1S/C9H16N2O3/c1-2-13-9(12)3-4-11-8-7-10-5-6-14-8/h3-4,8,10-11H,2,5-7H2,1H3/b4-3+
InChIKeyCZDNNYDMXGLSND-ONEGZZNKSA-N
XLogP-0.40
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(morpholin-2-ylmethyl) (Z)-but-2-enedioate
CID 66662905
ethyl morpholine-2-carboxylate;dihydrochloride
CID 127258967
ethyl 3-pyrrolidin-3-ylprop-2-enoate
CID 54435450
ethyl 2-(methylamino)-2-morpholin-2-ylacetate
CID 57144411
1-O-ethyl 4-O-(oxiran-2-ylmethyl) (Z)-but-2-enedioate
CID 6433943
ethyl 3-[(2S)-morpholin-2-yl]propanoate
CID 118409650
triethyl 2-[(2S)-morpholin-2-yl]ethane-1,1,1-tricarboxylate
CID 165157175
diethyl (E)-(1,2,3,4-13C4)but-2-enedioate
CID 11298268
diethyl (Z)-but-2-enedioate;methyl 2-(oxiran-2-ylmethyl)prop-2-enoate
CID 174899415
ethyl (Z)-3-formamidoprop-2-enoate
CID 55288302
2-hydroxy-N-morpholin-2-ylpropanamide
CID 174578412
ethyl 3-(ethoxyamino)prop-2-enoate;hydrochloride
CID 173062776

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(morpholin-2-ylamino)prop-2-enoate?
The IUPAC name of ethyl (E)-3-(morpholin-2-ylamino)prop-2-enoate (CID 70393118) is ethyl (E)-3-(morpholin-2-ylamino)prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(morpholin-2-ylamino)prop-2-enoate?
The canonical SMILES for ethyl (E)-3-(morpholin-2-ylamino)prop-2-enoate is CCOC(=O)/C=C/NC1CNCCO1.
What is the InChIKey of ethyl (E)-3-(morpholin-2-ylamino)prop-2-enoate?
The InChIKey is CZDNNYDMXGLSND-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-2-13-9(12)3-4-11-8-7-10-5-6-14-8/h3-4,8,10-11H,2,5-7H2,1H3/b4-3+.
What are the key properties of ethyl (E)-3-(morpholin-2-ylamino)prop-2-enoate?
ethyl (E)-3-(morpholin-2-ylamino)prop-2-enoate has a molecular weight of 200.24 g/mol, XLogP of -0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(morpholin-2-ylamino)prop-2-enoate is sourced from PubChem (CID 70393118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).