(2S,3S)-2-amino-N-(1,1-dideuterio-2-morpholin-4-ylethyl)-3-methylpentanamide;2-bromoacetamide;tert-butyl N-[(2S,3S)-1-[(1,1-dideuterio-2-morpholin-4-ylethyl)amino]-3-methyl-1-oxopentan-2-yl]carbamate;bis(1,1-dideuterio-2-morpholin-4-ylethanamine);ethyl 2-bromoacetate;ethyl 2-morpholin-4-ylacetate;(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;morpholine;2-morpholin-4-ylacetamide;hydrochloride

C80H164Br2ClN17O22 — CID 159107056

About (2S,3S)-2-amino-N-(1,1-dideuterio-2-morpholin-4-ylethyl)-3-methylpentanamide;2-bromoacetamide;tert-butyl N-[(2S,3S)-1-[(1,1-dideuterio-2-morpholin-4-ylethyl)amino]-3-methyl-1-oxopentan-2-yl]carbamate;bis(1,1-dideuterio-2-morpholin-4-ylethanamine);ethyl 2-bromoacetate;ethyl 2-morpholin-4-ylacetate;(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;morpholine;2-morpholin-4-ylacetamide;hydrochloride

(2S,3S)-2-amino-N-(1,1-dideuterio-2-morpholin-4-ylethyl)-3-methylpentanamide;2-bromoacetamide;tert-butyl N-[(2S,3S)-1-[(1,1-dideuterio-2-morpholin-4-ylethyl)amino]-3-methyl-1-oxopentan-2-yl]carbamate;bis(1,1-dideuterio-2-morpholin-4-ylethanamine);ethyl 2-bromoacetate;ethyl 2-morpholin-4-ylacetate;(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;morpholine;2-morpholin-4-ylacetamide;hydrochloride (PubChem CID 159107056) has the molecular formula C80H164Br2ClN17O22 and a molecular weight of 1919.60 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-(1,1-dideuterio-2-morpholin-4-ylethyl)-3-methylpentanamide;2-bromoacetamide;tert-butyl N-[(2S,3S)-1-[(1,1-dideuterio-2-morpholin-4-ylethyl)amino]-3-methyl-1-oxopentan-2-yl]carbamate;bis(1,1-dideuterio-2-morpholin-4-ylethanamine);ethyl 2-bromoacetate;ethyl 2-morpholin-4-ylacetate;(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;morpholine;2-morpholin-4-ylacetamide;hydrochloride.

Molecular Properties

• Compound Name: (2S,3S)-2-amino-N-(1,1-dideuterio-2-morpholin-4-ylethyl)-3-methylpentanamide;2-bromoacetamide;tert-butyl N-[(2S,3S)-1-[(1,1-dideuterio-2-morpholin-4-ylethyl)amino]-3-methyl-1-oxopentan-2-yl]carbamate;bis(1,1-dideuterio-2-morpholin-4-ylethanamine);ethyl 2-bromoacetate;ethyl 2-morpholin-4-ylacetate;(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;morpholine;2-morpholin-4-ylacetamide;hydrochloride
• PubChem CID: 159107056
• Molecular Formula: C80H164Br2ClN17O22
• Molecular Weight: 1919.60 g/mol
• Exact Mass: 1916.08
• IUPAC Name: (2S,3S)-2-amino-N-(1,1-dideuterio-2-morpholin-4-ylethyl)-3-methylpentanamide;2-bromoacetamide;tert-butyl N-[(2S,3S)-1-[(1,1-dideuterio-2-morpholin-4-ylethyl)amino]-3-methyl-1-oxopentan-2-yl]carbamate;bis(1,1-dideuterio-2-morpholin-4-ylethanamine);ethyl 2-bromoacetate;ethyl 2-morpholin-4-ylacetate;(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;morpholine;2-morpholin-4-ylacetamide;hydrochloride
• SMILES: C1COCCN1.C1COCCN1.CCOC(=O)CBr.CCOC(=O)CN1CCOCC1.CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)O.Cl.NC(=O)CBr.NC(=O)CN1CCOCC1.[2H]C([2H])(CN1CCOCC1)NC(=O)[C@@H](N)[C@@H](C)CC.[2H]C([2H])(CN1CCOCC1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC.[2H]C([2H])(N)CN1CCOCC1.[2H]C([2H])(N)CN1CCOCC1
• InChI: InChI=1S/C17H33N3O4.C12H25N3O2.C11H21NO4.C8H15NO3.C6H12N2O2.2C6H14N2O.C4H7BrO2.2C4H9NO.C2H4BrNO.ClH/c1-6-13(2)14(19-16(22)24-17(3,4)5)15(21)18-7-8-20-9-11-23-12-10-20;1-3-10(2)11(13)12(16)14-4-5-15-6-8-17-9-7-15;1-6-7(2)8(9(13)14)12-10(15)16-11(3,4)5;1-2-12-8(10)7-9-3-5-11-6-4-9;7-6(9)5-8-1-3-10-4-2-8;2*7-1-2-8-3-5-9-6-4-8;1-2-7-4(6)3-5;2*1-3-6-4-2-5-1;3-1-2(4)5;/h13-14H,6-12H2,1-5H3,(H,18,21)(H,19,22);10-11H,3-9,13H2,1-2H3,(H,14,16);7-8H,6H2,1-5H3,(H,12,15)(H,13,14);2-7H2,1H3;1-5H2,(H2,7,9);2*1-7H2;2-3H2,1H3;2*5H,1-4H2;1H2,(H2,4,5);1H/t13-,14-;10-,11-;7-,8-;;;;;;;;;/m000........./s1/i7D2;4D2;;;;2*1D2
• InChIKey: QHCGYLXDBGVLDT-ORXGAZROSA-N
• XLogP: 0.88
• TPSA: 506.34 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 32
• Rotatable Bonds: 29
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1919.60
LogP ≤ 5	0.88
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-(1,1-dideuterio-2-morpholin-4-ylethyl)-3-methylpentanamide;2-bromoacetamide;tert-butyl N-[(2S,3S)-1-[(1,1-dideuterio-2-morpholin-4-ylethyl)amino]-3-methyl-1-oxopentan-2-yl]carbamate;bis(1,1-dideuterio-2-morpholin-4-ylethanamine);ethyl 2-bromoacetate;ethyl 2-morpholin-4-ylacetate;(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;morpholine;2-morpholin-4-ylacetamide;hydrochloride?

The IUPAC name of (2S,3S)-2-amino-N-(1,1-dideuterio-2-morpholin-4-ylethyl)-3-methylpentanamide;2-bromoacetamide;tert-butyl N-[(2S,3S)-1-[(1,1-dideuterio-2-morpholin-4-ylethyl)amino]-3-methyl-1-oxopentan-2-yl]carbamate;bis(1,1-dideuterio-2-morpholin-4-ylethanamine);ethyl 2-bromoacetate;ethyl 2-morpholin-4-ylacetate;(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;morpholine;2-morpholin-4-ylacetamide;hydrochloride (CID 159107056) is (2S,3S)-2-amino-N-(1,1-dideuterio-2-morpholin-4-ylethyl)-3-methylpentanamide;2-bromoacetamide;tert-butyl N-[(2S,3S)-1-[(1,1-dideuterio-2-morpholin-4-ylethyl)amino]-3-methyl-1-oxopentan-2-yl]carbamate;bis(1,1-dideuterio-2-morpholin-4-ylethanamine);ethyl 2-bromoacetate;ethyl 2-morpholin-4-ylacetate;(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;morpholine;2-morpholin-4-ylacetamide;hydrochloride.

What is the SMILES notation for (2S,3S)-2-amino-N-(1,1-dideuterio-2-morpholin-4-ylethyl)-3-methylpentanamide;2-bromoacetamide;tert-butyl N-[(2S,3S)-1-[(1,1-dideuterio-2-morpholin-4-ylethyl)amino]-3-methyl-1-oxopentan-2-yl]carbamate;bis(1,1-dideuterio-2-morpholin-4-ylethanamine);ethyl 2-bromoacetate;ethyl 2-morpholin-4-ylacetate;(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;morpholine;2-morpholin-4-ylacetamide;hydrochloride?

The canonical SMILES for (2S,3S)-2-amino-N-(1,1-dideuterio-2-morpholin-4-ylethyl)-3-methylpentanamide;2-bromoacetamide;tert-butyl N-[(2S,3S)-1-[(1,1-dideuterio-2-morpholin-4-ylethyl)amino]-3-methyl-1-oxopentan-2-yl]carbamate;bis(1,1-dideuterio-2-morpholin-4-ylethanamine);ethyl 2-bromoacetate;ethyl 2-morpholin-4-ylacetate;(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;morpholine;2-morpholin-4-ylacetamide;hydrochloride is C1COCCN1.C1COCCN1.CCOC(=O)CBr.CCOC(=O)CN1CCOCC1.CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)O.Cl.NC(=O)CBr.NC(=O)CN1CCOCC1.[2H]C([2H])(CN1CCOCC1)NC(=O)[C@@H](N)[C@@H](C)CC.[2H]C([2H])(CN1CCOCC1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC.[2H]C([2H])(N)CN1CCOCC1.[2H]C([2H])(N)CN1CCOCC1.

What is the InChIKey of (2S,3S)-2-amino-N-(1,1-dideuterio-2-morpholin-4-ylethyl)-3-methylpentanamide;2-bromoacetamide;tert-butyl N-[(2S,3S)-1-[(1,1-dideuterio-2-morpholin-4-ylethyl)amino]-3-methyl-1-oxopentan-2-yl]carbamate;bis(1,1-dideuterio-2-morpholin-4-ylethanamine);ethyl 2-bromoacetate;ethyl 2-morpholin-4-ylacetate;(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;morpholine;2-morpholin-4-ylacetamide;hydrochloride?

The InChIKey is QHCGYLXDBGVLDT-ORXGAZROSA-N. The full InChI is InChI=1S/C17H33N3O4.C12H25N3O2.C11H21NO4.C8H15NO3.C6H12N2O2.2C6H14N2O.C4H7BrO2.2C4H9NO.C2H4BrNO.ClH/c1-6-13(2)14(19-16(22)24-17(3,4)5)15(21)18-7-8-20-9-11-23-12-10-20;1-3-10(2)11(13)12(16)14-4-5-15-6-8-17-9-7-15;1-6-7(2)8(9(13)14)12-10(15)16-11(3,4)5;1-2-12-8(10)7-9-3-5-11-6-4-9;7-6(9)5-8-1-3-10-4-2-8;2*7-1-2-8-3-5-9-6-4-8;1-2-7-4(6)3-5;2*1-3-6-4-2-5-1;3-1-2(4)5;/h13-14H,6-12H2,1-5H3,(H,18,21)(H,19,22);10-11H,3-9,13H2,1-2H3,(H,14,16);7-8H,6H2,1-5H3,(H,12,15)(H,13,14);2-7H2,1H3;1-5H2,(H2,7,9);2*1-7H2;2-3H2,1H3;2*5H,1-4H2;1H2,(H2,4,5);1H/t13-,14-;10-,11-;7-,8-;;;;;;;;;/m000........./s1/i7D2;4D2;;;;2*1D2;;;;;.

What are the key properties of (2S,3S)-2-amino-N-(1,1-dideuterio-2-morpholin-4-ylethyl)-3-methylpentanamide;2-bromoacetamide;tert-butyl N-[(2S,3S)-1-[(1,1-dideuterio-2-morpholin-4-ylethyl)amino]-3-methyl-1-oxopentan-2-yl]carbamate;bis(1,1-dideuterio-2-morpholin-4-ylethanamine);ethyl 2-bromoacetate;ethyl 2-morpholin-4-ylacetate;(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;morpholine;2-morpholin-4-ylacetamide;hydrochloride?

(2S,3S)-2-amino-N-(1,1-dideuterio-2-morpholin-4-ylethyl)-3-methylpentanamide;2-bromoacetamide;tert-butyl N-[(2S,3S)-1-[(1,1-dideuterio-2-morpholin-4-ylethyl)amino]-3-methyl-1-oxopentan-2-yl]carbamate;bis(1,1-dideuterio-2-morpholin-4-ylethanamine);ethyl 2-bromoacetate;ethyl 2-morpholin-4-ylacetate;(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;morpholine;2-morpholin-4-ylacetamide;hydrochloride has a molecular weight of 1919.60 g/mol, XLogP of 0.88, 29 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S)-2-amino-N-(1,1-dideuterio-2-morpholin-4-ylethyl)-3-methylpentanamide;2-bromoacetamide;tert-butyl N-[(2S,3S)-1-[(1,1-dideuterio-2-morpholin-4-ylethyl)amino]-3-methyl-1-oxopentan-2-yl]carbamate;bis(1,1-dideuterio-2-morpholin-4-ylethanamine);ethyl 2-bromoacetate;ethyl 2-morpholin-4-ylacetate;(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;morpholine;2-morpholin-4-ylacetamide;hydrochloride is sourced from PubChem (CID 159107056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).