benzyl (2S)-2-(ethoxymethyl)morpholine-4-carboxylate

C15H21NO4 — CID 175632002

IUPACbenzyl (2S)-2-(ethoxymethyl)morpholine-4-carboxylate
SMILESCCOC[C@@H]1CN(C(=O)OCc2ccccc2)CCO1
InChIInChI=1S/C15H21NO4/c1-2-18-12-14-10-16(8-9-19-14)15(17)20-11-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3/t14-/m0/s1
InChIKeyDKPAKOIQCBZHJT-AWEZNQCLSA-N
MW279.34 g/mol
LogP2.06
Rot. Bonds5

About benzyl (2S)-2-(ethoxymethyl)morpholine-4-carboxylate

benzyl (2S)-2-(ethoxymethyl)morpholine-4-carboxylate (PubChem CID 175632002) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is benzyl (2S)-2-(ethoxymethyl)morpholine-4-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-2-(ethoxymethyl)morpholine-4-carboxylate
PubChem CID175632002
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namebenzyl (2S)-2-(ethoxymethyl)morpholine-4-carboxylate
SMILESCCOC[C@@H]1CN(C(=O)OCc2ccccc2)CCO1
InChIInChI=1S/C15H21NO4/c1-2-18-12-14-10-16(8-9-19-14)15(17)20-11-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3/t14-/m0/s1
InChIKeyDKPAKOIQCBZHJT-AWEZNQCLSA-N
XLogP2.06
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (2R)-2-ethylmorpholine-4-carboxylate
CID 164672406
(4-phenylmethoxycarbonylmorpholin-2-yl)methanesulfinic acid
CID 165453803
benzyl 2-(2-cyanoethyl)morpholine-4-carboxylate
CID 14882034
benzyl (2S)-2-formylmorpholine-4-carboxylate
CID 118280798
benzyl 2-[(2,2-dimethylpropylamino)methyl]morpholine-4-carboxylate
CID 107254724
(2S)-4-phenylmethoxycarbonylmorpholine-2-carboxylate
CID 86324765
benzyl 2-[(oxan-4-ylmethylamino)methyl]morpholine-4-carboxylate
CID 107255000
benzyl 2-(1-hydroxyethyl)morpholine-4-carboxylate
CID 18354365
benzyl 2-[(5-methylheptan-3-ylamino)methyl]morpholine-4-carboxylate
CID 107254875
benzyl 2-[[(3-methylcyclopentyl)amino]methyl]morpholine-4-carboxylate
CID 107254987
benzyl 2-[[(3-methoxy-3-methylbutyl)amino]methyl]morpholine-4-carboxylate
CID 107254946
benzyl (2S)-2-[[(2R)-2-ethyl-4-hydroxybutyl]sulfamoylmethyl]morpholine-4-carboxylate
CID 124889486

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-(ethoxymethyl)morpholine-4-carboxylate?
The IUPAC name of benzyl (2S)-2-(ethoxymethyl)morpholine-4-carboxylate (CID 175632002) is benzyl (2S)-2-(ethoxymethyl)morpholine-4-carboxylate.
What is the SMILES notation for benzyl (2S)-2-(ethoxymethyl)morpholine-4-carboxylate?
The canonical SMILES for benzyl (2S)-2-(ethoxymethyl)morpholine-4-carboxylate is CCOC[C@@H]1CN(C(=O)OCc2ccccc2)CCO1.
What is the InChIKey of benzyl (2S)-2-(ethoxymethyl)morpholine-4-carboxylate?
The InChIKey is DKPAKOIQCBZHJT-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21NO4/c1-2-18-12-14-10-16(8-9-19-14)15(17)20-11-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3/t14-/m0/s1.
What are the key properties of benzyl (2S)-2-(ethoxymethyl)morpholine-4-carboxylate?
benzyl (2S)-2-(ethoxymethyl)morpholine-4-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-(ethoxymethyl)morpholine-4-carboxylate is sourced from PubChem (CID 175632002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).