(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylpropyl)pentanamide;tert-butyl N-[(2S,3S)-3-methyl-1-(2-morpholin-4-ylpropylamino)-1-oxopentan-2-yl]carbamate;methane;(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;2-morpholin-4-ylpropan-1-amine;hydrochloride

C50H104ClN9O11 — CID 162255727

About (2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylpropyl)pentanamide;tert-butyl N-[(2S,3S)-3-methyl-1-(2-morpholin-4-ylpropylamino)-1-oxopentan-2-yl]carbamate;methane;(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;2-morpholin-4-ylpropan-1-amine;hydrochloride

(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylpropyl)pentanamide;tert-butyl N-[(2S,3S)-3-methyl-1-(2-morpholin-4-ylpropylamino)-1-oxopentan-2-yl]carbamate;methane;(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;2-morpholin-4-ylpropan-1-amine;hydrochloride (PubChem CID 162255727) has the molecular formula C50H104ClN9O11 and a molecular weight of 1042.89 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylpropyl)pentanamide;tert-butyl N-[(2S,3S)-3-methyl-1-(2-morpholin-4-ylpropylamino)-1-oxopentan-2-yl]carbamate;methane;(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;2-morpholin-4-ylpropan-1-amine;hydrochloride.

Molecular Properties

• Compound Name: (2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylpropyl)pentanamide;tert-butyl N-[(2S,3S)-3-methyl-1-(2-morpholin-4-ylpropylamino)-1-oxopentan-2-yl]carbamate;methane;(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;2-morpholin-4-ylpropan-1-amine;hydrochloride
• PubChem CID: 162255727
• Molecular Formula: C50H104ClN9O11
• Molecular Weight: 1042.89 g/mol
• Exact Mass: 1041.75
• IUPAC Name: (2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylpropyl)pentanamide;tert-butyl N-[(2S,3S)-3-methyl-1-(2-morpholin-4-ylpropylamino)-1-oxopentan-2-yl]carbamate;methane;(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;2-morpholin-4-ylpropan-1-amine;hydrochloride
• SMILES: C.CC(CN)N1CCOCC1.CC[C@H](C)[C@H](N)C(=O)NCC(C)N1CCOCC1.CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(C)N1CCOCC1.CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)O.Cl
• InChI: InChI=1S/C18H35N3O4.C13H27N3O2.C11H21NO4.C7H16N2O.CH4.ClH/c1-7-13(2)15(20-17(23)25-18(4,5)6)16(22)19-12-14(3)21-8-10-24-11-9-21;1-4-10(2)12(14)13(17)15-9-11(3)16-5-7-18-8-6-16;1-6-7(2)8(9(13)14)12-10(15)16-11(3,4)5;1-7(6-8)9-2-4-10-5-3-9;;/h13-15H,7-12H2,1-6H3,(H,19,22)(H,20,23);10-12H,4-9,14H2,1-3H3,(H,15,17);7-8H,6H2,1-5H3,(H,12,15)(H,13,14);7H,2-6,8H2,1H3;1H4;1H/t13-,14?,15-;10-,11?,12-;7-,8-;;;/m000.../s1
• InChIKey: XSRYFRYRZMJEFQ-VDVCLRFXSA-N
• XLogP: 4.69
• TPSA: 261.61 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 15
• Rotatable Bonds: 19
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1042.89
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylpropyl)pentanamide;tert-butyl N-[(2S,3S)-3-methyl-1-(2-morpholin-4-ylpropylamino)-1-oxopentan-2-yl]carbamate;methane;(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;2-morpholin-4-ylpropan-1-amine;hydrochloride?

The IUPAC name of (2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylpropyl)pentanamide;tert-butyl N-[(2S,3S)-3-methyl-1-(2-morpholin-4-ylpropylamino)-1-oxopentan-2-yl]carbamate;methane;(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;2-morpholin-4-ylpropan-1-amine;hydrochloride (CID 162255727) is (2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylpropyl)pentanamide;tert-butyl N-[(2S,3S)-3-methyl-1-(2-morpholin-4-ylpropylamino)-1-oxopentan-2-yl]carbamate;methane;(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;2-morpholin-4-ylpropan-1-amine;hydrochloride.

What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylpropyl)pentanamide;tert-butyl N-[(2S,3S)-3-methyl-1-(2-morpholin-4-ylpropylamino)-1-oxopentan-2-yl]carbamate;methane;(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;2-morpholin-4-ylpropan-1-amine;hydrochloride?

The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylpropyl)pentanamide;tert-butyl N-[(2S,3S)-3-methyl-1-(2-morpholin-4-ylpropylamino)-1-oxopentan-2-yl]carbamate;methane;(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;2-morpholin-4-ylpropan-1-amine;hydrochloride is C.CC(CN)N1CCOCC1.CC[C@H](C)[C@H](N)C(=O)NCC(C)N1CCOCC1.CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(C)N1CCOCC1.CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)O.Cl.

What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylpropyl)pentanamide;tert-butyl N-[(2S,3S)-3-methyl-1-(2-morpholin-4-ylpropylamino)-1-oxopentan-2-yl]carbamate;methane;(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;2-morpholin-4-ylpropan-1-amine;hydrochloride?

The InChIKey is XSRYFRYRZMJEFQ-VDVCLRFXSA-N. The full InChI is InChI=1S/C18H35N3O4.C13H27N3O2.C11H21NO4.C7H16N2O.CH4.ClH/c1-7-13(2)15(20-17(23)25-18(4,5)6)16(22)19-12-14(3)21-8-10-24-11-9-21;1-4-10(2)12(14)13(17)15-9-11(3)16-5-7-18-8-6-16;1-6-7(2)8(9(13)14)12-10(15)16-11(3,4)5;1-7(6-8)9-2-4-10-5-3-9;;/h13-15H,7-12H2,1-6H3,(H,19,22)(H,20,23);10-12H,4-9,14H2,1-3H3,(H,15,17);7-8H,6H2,1-5H3,(H,12,15)(H,13,14);7H,2-6,8H2,1H3;1H4;1H/t13-,14?,15-;10-,11?,12-;7-,8-;;;/m000.../s1.

What are the key properties of (2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylpropyl)pentanamide;tert-butyl N-[(2S,3S)-3-methyl-1-(2-morpholin-4-ylpropylamino)-1-oxopentan-2-yl]carbamate;methane;(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;2-morpholin-4-ylpropan-1-amine;hydrochloride?

(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylpropyl)pentanamide;tert-butyl N-[(2S,3S)-3-methyl-1-(2-morpholin-4-ylpropylamino)-1-oxopentan-2-yl]carbamate;methane;(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;2-morpholin-4-ylpropan-1-amine;hydrochloride has a molecular weight of 1042.89 g/mol, XLogP of 4.69, 19 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylpropyl)pentanamide;tert-butyl N-[(2S,3S)-3-methyl-1-(2-morpholin-4-ylpropylamino)-1-oxopentan-2-yl]carbamate;methane;(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;2-morpholin-4-ylpropan-1-amine;hydrochloride is sourced from PubChem (CID 162255727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).