ethyl morpholine-2-carboxylate

C7H13NO3 — CID 15651197

IUPACethyl morpholine-2-carboxylate
SMILESCCOC(=O)C1CNCCO1
InChIInChI=1S/C7H13NO3/c1-2-10-7(9)6-5-8-3-4-11-6/h6,8H,2-5H2,1H3
InChIKeyPTWKMUDNOPBYJO-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.46
Rot. Bonds2

About ethyl morpholine-2-carboxylate

ethyl morpholine-2-carboxylate (PubChem CID 15651197) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is ethyl morpholine-2-carboxylate.

Molecular Properties

Compound Nameethyl morpholine-2-carboxylate
PubChem CID15651197
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Nameethyl morpholine-2-carboxylate
SMILESCCOC(=O)C1CNCCO1
InChIInChI=1S/C7H13NO3/c1-2-10-7(9)6-5-8-3-4-11-6/h6,8H,2-5H2,1H3
InChIKeyPTWKMUDNOPBYJO-UHFFFAOYSA-N
XLogP-0.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl morpholine-2-carboxylate?
The IUPAC name of ethyl morpholine-2-carboxylate (CID 15651197) is ethyl morpholine-2-carboxylate.
What is the SMILES notation for ethyl morpholine-2-carboxylate?
The canonical SMILES for ethyl morpholine-2-carboxylate is CCOC(=O)C1CNCCO1.
What is the InChIKey of ethyl morpholine-2-carboxylate?
The InChIKey is PTWKMUDNOPBYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-2-10-7(9)6-5-8-3-4-11-6/h6,8H,2-5H2,1H3.
What are the key properties of ethyl morpholine-2-carboxylate?
ethyl morpholine-2-carboxylate has a molecular weight of 159.18 g/mol, XLogP of -0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl morpholine-2-carboxylate is sourced from PubChem (CID 15651197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).