benzyl (2S)-2-[(1R)-1-(benzylamino)ethyl]morpholine-4-carboxylate

C21H26N2O3 — CID 97353124

IUPACbenzyl (2S)-2-[(1R)-1-(benzylamino)ethyl]morpholine-4-carboxylate
SMILESC[C@@H](NCc1ccccc1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1
InChIInChI=1S/C21H26N2O3/c1-17(22-14-18-8-4-2-5-9-18)20-15-23(12-13-25-20)21(24)26-16-19-10-6-3-7-11-19/h2-11,17,20,22H,12-16H2,1H3/t17-,20+/m1/s1
InChIKeyXOVVERWLPVZVSS-XLIONFOSSA-N
MW354.45 g/mol
LogP3.20
Rot. Bonds6

About benzyl (2S)-2-[(1R)-1-(benzylamino)ethyl]morpholine-4-carboxylate

benzyl (2S)-2-[(1R)-1-(benzylamino)ethyl]morpholine-4-carboxylate (PubChem CID 97353124) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is benzyl (2S)-2-[(1R)-1-(benzylamino)ethyl]morpholine-4-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-2-[(1R)-1-(benzylamino)ethyl]morpholine-4-carboxylate
PubChem CID97353124
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Namebenzyl (2S)-2-[(1R)-1-(benzylamino)ethyl]morpholine-4-carboxylate
SMILESC[C@@H](NCc1ccccc1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1
InChIInChI=1S/C21H26N2O3/c1-17(22-14-18-8-4-2-5-9-18)20-15-23(12-13-25-20)21(24)26-16-19-10-6-3-7-11-19/h2-11,17,20,22H,12-16H2,1H3/t17-,20+/m1/s1
InChIKeyXOVVERWLPVZVSS-XLIONFOSSA-N
XLogP3.20
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl (2S)-2-[(1R)-1-(benzylamino)ethyl]morpholine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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 (2R)-2-[(1S)-1-[(2-methyl-2-morpholin-4-ylpropyl)amino]ethyl]morpholine-4-carboxylate
CID 97353129
benzyl (2R)-2-ethylmorpholine-4-carboxylate
CID 164672406
benzyl (2S)-2-formylmorpholine-4-carboxylate
CID 118280798
(2S)-4-phenylmethoxycarbonylmorpholine-2-carboxylate
CID 86324765
benzyl 2-[[1-(oxolan-3-yl)ethylamino]methyl]morpholine-4-carboxylate
CID 107254776
benzyl 2-[(5-methylheptan-3-ylamino)methyl]morpholine-4-carboxylate
CID 107254875
benzyl 2-(3-bromocyclobutyl)morpholine-4-carboxylate
CID 164545661
benzyl (2S)-2-(ethoxymethyl)morpholine-4-carboxylate
CID 175632002
benzyl (2S)-2-[[(2R)-3-methoxy-2-methyl-3-oxopropyl]sulfamoylmethyl]morpholine-4-carboxylate
CID 124729039
benzyl 2-[(2,2-dimethylpropylamino)methyl]morpholine-4-carboxylate
CID 107254724

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-[(1R)-1-(benzylamino)ethyl]morpholine-4-carboxylate?
The IUPAC name of benzyl (2S)-2-[(1R)-1-(benzylamino)ethyl]morpholine-4-carboxylate (CID 97353124) is benzyl (2S)-2-[(1R)-1-(benzylamino)ethyl]morpholine-4-carboxylate.
What is the SMILES notation for benzyl (2S)-2-[(1R)-1-(benzylamino)ethyl]morpholine-4-carboxylate?
The canonical SMILES for benzyl (2S)-2-[(1R)-1-(benzylamino)ethyl]morpholine-4-carboxylate is C[C@@H](NCc1ccccc1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1.
What is the InChIKey of benzyl (2S)-2-[(1R)-1-(benzylamino)ethyl]morpholine-4-carboxylate?
The InChIKey is XOVVERWLPVZVSS-XLIONFOSSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-17(22-14-18-8-4-2-5-9-18)20-15-23(12-13-25-20)21(24)26-16-19-10-6-3-7-11-19/h2-11,17,20,22H,12-16H2,1H3/t17-,20+/m1/s1.
What are the key properties of benzyl (2S)-2-[(1R)-1-(benzylamino)ethyl]morpholine-4-carboxylate?
benzyl (2S)-2-[(1R)-1-(benzylamino)ethyl]morpholine-4-carboxylate has a molecular weight of 354.45 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-[(1R)-1-(benzylamino)ethyl]morpholine-4-carboxylate is sourced from PubChem (CID 97353124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).