benzyl (2R)-2-[(1S)-1-[(2-methyl-2-morpholin-4-ylpropyl)amino]ethyl]morpholine-4-carboxylate

C22H35N3O4 — CID 97353129

IUPACbenzyl (2R)-2-[(1S)-1-[(2-methyl-2-morpholin-4-ylpropyl)amino]ethyl]morpholine-4-carboxylate
SMILESC[C@H](NCC(C)(C)N1CCOCC1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1
InChIInChI=1S/C22H35N3O4/c1-18(23-17-22(2,3)25-10-12-27-13-11-25)20-15-24(9-14-28-20)21(26)29-16-19-7-5-4-6-8-19/h4-8,18,20,23H,9-17H2,1-3H3/t18-,20+/m0/s1
InChIKeyYBXGYLJQLDPEAN-AZUAARDMSA-N
MW405.54 g/mol
LogP2.11
Rot. Bonds7

About benzyl (2R)-2-[(1S)-1-[(2-methyl-2-morpholin-4-ylpropyl)amino]ethyl]morpholine-4-carboxylate

benzyl (2R)-2-[(1S)-1-[(2-methyl-2-morpholin-4-ylpropyl)amino]ethyl]morpholine-4-carboxylate (PubChem CID 97353129) has the molecular formula C22H35N3O4 and a molecular weight of 405.54 g/mol. Its IUPAC name is benzyl (2R)-2-[(1S)-1-[(2-methyl-2-morpholin-4-ylpropyl)amino]ethyl]morpholine-4-carboxylate.

Molecular Properties

Compound Namebenzyl (2R)-2-[(1S)-1-[(2-methyl-2-morpholin-4-ylpropyl)amino]ethyl]morpholine-4-carboxylate
PubChem CID97353129
Molecular FormulaC22H35N3O4
Molecular Weight405.54 g/mol
Exact Mass405.26
IUPAC Namebenzyl (2R)-2-[(1S)-1-[(2-methyl-2-morpholin-4-ylpropyl)amino]ethyl]morpholine-4-carboxylate
SMILESC[C@H](NCC(C)(C)N1CCOCC1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1
InChIInChI=1S/C22H35N3O4/c1-18(23-17-22(2,3)25-10-12-27-13-11-25)20-15-24(9-14-28-20)21(26)29-16-19-7-5-4-6-8-19/h4-8,18,20,23H,9-17H2,1-3H3/t18-,20+/m0/s1
InChIKeyYBXGYLJQLDPEAN-AZUAARDMSA-N
XLogP2.11
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl (2S)-2-[(1R)-1-(benzylamino)ethyl]morpholine-4-carboxylate
CID 97353124
benzyl (2R)-2-[(1R)-1-[(2-methyl-2-methylsulfanylpropyl)amino]ethyl]morpholine-4-carboxylate
CID 97353162
benzyl 2-(1-hydroxyethyl)morpholine-4-carboxylate
CID 18354365
benzyl 2-[(2,2-dimethylpropylamino)methyl]morpholine-4-carboxylate
CID 107254724
benzyl (2R)-2-ethylmorpholine-4-carboxylate
CID 164672406
benzyl 2-[[1-(oxolan-3-yl)ethylamino]methyl]morpholine-4-carboxylate
CID 107254776
benzyl (2S)-2-formylmorpholine-4-carboxylate
CID 118280798
benzyl 2-(3-bromocyclobutyl)morpholine-4-carboxylate
CID 164545661
benzyl (6R,7R)-6,7-dihydroxy-1,4-oxazocane-4-carboxylate
CID 122547436
(2S)-4-phenylmethoxycarbonylmorpholine-2-carboxylate
CID 86324765
benzyl 2-[(oxan-4-ylmethylamino)methyl]morpholine-4-carboxylate
CID 107255000
benzyl 2-[(5-methylheptan-3-ylamino)methyl]morpholine-4-carboxylate
CID 107254875

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-[(1S)-1-[(2-methyl-2-morpholin-4-ylpropyl)amino]ethyl]morpholine-4-carboxylate?
The IUPAC name of benzyl (2R)-2-[(1S)-1-[(2-methyl-2-morpholin-4-ylpropyl)amino]ethyl]morpholine-4-carboxylate (CID 97353129) is benzyl (2R)-2-[(1S)-1-[(2-methyl-2-morpholin-4-ylpropyl)amino]ethyl]morpholine-4-carboxylate.
What is the SMILES notation for benzyl (2R)-2-[(1S)-1-[(2-methyl-2-morpholin-4-ylpropyl)amino]ethyl]morpholine-4-carboxylate?
The canonical SMILES for benzyl (2R)-2-[(1S)-1-[(2-methyl-2-morpholin-4-ylpropyl)amino]ethyl]morpholine-4-carboxylate is C[C@H](NCC(C)(C)N1CCOCC1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1.
What is the InChIKey of benzyl (2R)-2-[(1S)-1-[(2-methyl-2-morpholin-4-ylpropyl)amino]ethyl]morpholine-4-carboxylate?
The InChIKey is YBXGYLJQLDPEAN-AZUAARDMSA-N. The full InChI is InChI=1S/C22H35N3O4/c1-18(23-17-22(2,3)25-10-12-27-13-11-25)20-15-24(9-14-28-20)21(26)29-16-19-7-5-4-6-8-19/h4-8,18,20,23H,9-17H2,1-3H3/t18-,20+/m0/s1.
What are the key properties of benzyl (2R)-2-[(1S)-1-[(2-methyl-2-morpholin-4-ylpropyl)amino]ethyl]morpholine-4-carboxylate?
benzyl (2R)-2-[(1S)-1-[(2-methyl-2-morpholin-4-ylpropyl)amino]ethyl]morpholine-4-carboxylate has a molecular weight of 405.54 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-[(1S)-1-[(2-methyl-2-morpholin-4-ylpropyl)amino]ethyl]morpholine-4-carboxylate is sourced from PubChem (CID 97353129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).