benzyl 2-[[1-(oxolan-3-yl)ethylamino]methyl]morpholine-4-carboxylate

C19H28N2O4 — CID 107254776

IUPACbenzyl 2-[[1-(oxolan-3-yl)ethylamino]methyl]morpholine-4-carboxylate
SMILESCC(NCC1CN(C(=O)OCc2ccccc2)CCO1)C1CCOC1
InChIInChI=1S/C19H28N2O4/c1-15(17-7-9-23-14-17)20-11-18-12-21(8-10-24-18)19(22)25-13-16-5-3-2-4-6-16/h2-6,15,17-18,20H,7-14H2,1H3
InChIKeyZGVAUAWWIFWNDS-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.04
Rot. Bonds6

About benzyl 2-[[1-(oxolan-3-yl)ethylamino]methyl]morpholine-4-carboxylate

benzyl 2-[[1-(oxolan-3-yl)ethylamino]methyl]morpholine-4-carboxylate (PubChem CID 107254776) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is benzyl 2-[[1-(oxolan-3-yl)ethylamino]methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[[1-(oxolan-3-yl)ethylamino]methyl]morpholine-4-carboxylate
PubChem CID107254776
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Namebenzyl 2-[[1-(oxolan-3-yl)ethylamino]methyl]morpholine-4-carboxylate
SMILESCC(NCC1CN(C(=O)OCc2ccccc2)CCO1)C1CCOC1
InChIInChI=1S/C19H28N2O4/c1-15(17-7-9-23-14-17)20-11-18-12-21(8-10-24-18)19(22)25-13-16-5-3-2-4-6-16/h2-6,15,17-18,20H,7-14H2,1H3
InChIKeyZGVAUAWWIFWNDS-UHFFFAOYSA-N
XLogP2.04
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 2-[(5-methylheptan-3-ylamino)methyl]morpholine-4-carboxylate
CID 107254875
benzyl 2-[(oxan-4-ylmethylamino)methyl]morpholine-4-carboxylate
CID 107255000
benzyl (2R)-2-ethylmorpholine-4-carboxylate
CID 164672406
benzyl 2-[[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]methyl]morpholine-4-carboxylate
CID 107254761
benzyl 2-[(2,2-dimethylpropylamino)methyl]morpholine-4-carboxylate
CID 107254724
benzyl (2S)-2-[(1R)-1-(benzylamino)ethyl]morpholine-4-carboxylate
CID 97353124
benzyl 2-[[(3-methylcyclopentyl)amino]methyl]morpholine-4-carboxylate
CID 107254987
benzyl (2S)-2-(ethoxymethyl)morpholine-4-carboxylate
CID 175632002
benzyl 2-[[(3-methoxy-3-methylbutyl)amino]methyl]morpholine-4-carboxylate
CID 107254946
benzyl 2-(1-hydroxyethyl)morpholine-4-carboxylate
CID 18354365
benzyl (2S)-2-[[(2R)-3-methoxy-2-methyl-3-oxopropyl]sulfamoylmethyl]morpholine-4-carboxylate
CID 124729039
(4-phenylmethoxycarbonylmorpholin-2-yl)methanesulfinic acid
CID 165453803

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[1-(oxolan-3-yl)ethylamino]methyl]morpholine-4-carboxylate?
The IUPAC name of benzyl 2-[[1-(oxolan-3-yl)ethylamino]methyl]morpholine-4-carboxylate (CID 107254776) is benzyl 2-[[1-(oxolan-3-yl)ethylamino]methyl]morpholine-4-carboxylate.
What is the SMILES notation for benzyl 2-[[1-(oxolan-3-yl)ethylamino]methyl]morpholine-4-carboxylate?
The canonical SMILES for benzyl 2-[[1-(oxolan-3-yl)ethylamino]methyl]morpholine-4-carboxylate is CC(NCC1CN(C(=O)OCc2ccccc2)CCO1)C1CCOC1.
What is the InChIKey of benzyl 2-[[1-(oxolan-3-yl)ethylamino]methyl]morpholine-4-carboxylate?
The InChIKey is ZGVAUAWWIFWNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-15(17-7-9-23-14-17)20-11-18-12-21(8-10-24-18)19(22)25-13-16-5-3-2-4-6-16/h2-6,15,17-18,20H,7-14H2,1H3.
What are the key properties of benzyl 2-[[1-(oxolan-3-yl)ethylamino]methyl]morpholine-4-carboxylate?
benzyl 2-[[1-(oxolan-3-yl)ethylamino]methyl]morpholine-4-carboxylate has a molecular weight of 348.44 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[1-(oxolan-3-yl)ethylamino]methyl]morpholine-4-carboxylate is sourced from PubChem (CID 107254776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).