ethyl 3-[(2S)-morpholin-2-yl]propanoate

C9H17NO3 — CID 118409650

IUPACethyl 3-[(2S)-morpholin-2-yl]propanoate
SMILESCCOC(=O)CC[C@H]1CNCCO1
InChIInChI=1S/C9H17NO3/c1-2-12-9(11)4-3-8-7-10-5-6-13-8/h8,10H,2-7H2,1H3/t8-/m0/s1
InChIKeyAZRXQLVDJRPWSZ-QMMMGPOBSA-N
MW187.24 g/mol
LogP0.32
Rot. Bonds4

About ethyl 3-[(2S)-morpholin-2-yl]propanoate

ethyl 3-[(2S)-morpholin-2-yl]propanoate (PubChem CID 118409650) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is ethyl 3-[(2S)-morpholin-2-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[(2S)-morpholin-2-yl]propanoate
PubChem CID118409650
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nameethyl 3-[(2S)-morpholin-2-yl]propanoate
SMILESCCOC(=O)CC[C@H]1CNCCO1
InChIInChI=1S/C9H17NO3/c1-2-12-9(11)4-3-8-7-10-5-6-13-8/h8,10H,2-7H2,1H3/t8-/m0/s1
InChIKeyAZRXQLVDJRPWSZ-QMMMGPOBSA-N
XLogP0.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

triethyl 2-[(2S)-morpholin-2-yl]ethane-1,1,1-tricarboxylate
CID 165157175
1,3-di(morpholin-2-yl)propan-1-one
CID 174895095
ethyl morpholine-2-carboxylate;dihydrochloride
CID 127258967
ethyl 3-[(2S,3S)-2-methylmorpholin-3-yl]propanoate
CID 118409555
ethyl 1-(2-morpholin-2-ylacetyl)piperidine-2-carboxylate
CID 66427655
butyl 2-morpholin-2-ylacetate
CID 66434235
ethyl 4-[(2R)-oxiran-2-yl]butanoate
CID 10607030
3-[(2R)-morpholin-2-yl]propan-1-amine
CID 92954644
1-morpholin-2-ylbutan-2-one
CID 116586154
2-morpholin-2-ylethanol;hydrofluoride
CID 69116594
ethyl 2-[methyl(morpholin-2-ylmethyl)amino]pentanoate
CID 83049651
N,N-diethyl-2-morpholin-2-ylacetamide
CID 66435692

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2S)-morpholin-2-yl]propanoate?
The IUPAC name of ethyl 3-[(2S)-morpholin-2-yl]propanoate (CID 118409650) is ethyl 3-[(2S)-morpholin-2-yl]propanoate.
What is the SMILES notation for ethyl 3-[(2S)-morpholin-2-yl]propanoate?
The canonical SMILES for ethyl 3-[(2S)-morpholin-2-yl]propanoate is CCOC(=O)CC[C@H]1CNCCO1.
What is the InChIKey of ethyl 3-[(2S)-morpholin-2-yl]propanoate?
The InChIKey is AZRXQLVDJRPWSZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17NO3/c1-2-12-9(11)4-3-8-7-10-5-6-13-8/h8,10H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of ethyl 3-[(2S)-morpholin-2-yl]propanoate?
ethyl 3-[(2S)-morpholin-2-yl]propanoate has a molecular weight of 187.24 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2S)-morpholin-2-yl]propanoate is sourced from PubChem (CID 118409650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).