1-amino-5-morpholin-4-ylpentan-2-one;tert-butyl N-(5-morpholin-4-yl-2-oxopentyl)carbamate;methane;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-morpholin-4-ylethanamine;hydrochloride

C37H76ClN7O11 — CID 159911179

IUPAC1-amino-5-morpholin-4-ylpentan-2-one;tert-butyl N-(5-morpholin-4-yl-2-oxopentyl)carbamate;methane;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-morpholin-4-ylethanamine;hydrochloride
SMILESC.CC(C)(C)OC(=O)NCC(=O)CCCN1CCOCC1.CC(C)(C)OC(=O)NCC(=O)O.Cl.NCC(=O)CCCN1CCOCC1.NCCN1CCOCC1
InChIInChI=1S/C14H26N2O4.C9H18N2O2.C7H13NO4.C6H14N2O.CH4.ClH/c1-14(2,3)20-13(18)15-11-12(17)5-4-6-16-7-9-19-10-8-16;10-8-9(12)2-1-3-11-4-6-13-7-5-11;1-7(2,3)12-6(11)8-4-5(9)10;7-1-2-8-3-5-9-6-4-8;;/h4-11H2,1-3H3,(H,15,18);1-8,10H2;4H2,1-3H3,(H,8,11)(H,9,10);1-7H2;1H4;1H
InChIKeyCQRUIXCXVNUIMC-UHFFFAOYSA-N
MW830.51 g/mol
LogP1.75
Rot. Bonds15

About 1-amino-5-morpholin-4-ylpentan-2-one;tert-butyl N-(5-morpholin-4-yl-2-oxopentyl)carbamate;methane;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-morpholin-4-ylethanamine;hydrochloride

1-amino-5-morpholin-4-ylpentan-2-one;tert-butyl N-(5-morpholin-4-yl-2-oxopentyl)carbamate;methane;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-morpholin-4-ylethanamine;hydrochloride (PubChem CID 159911179) has the molecular formula C37H76ClN7O11 and a molecular weight of 830.51 g/mol. Its IUPAC name is 1-amino-5-morpholin-4-ylpentan-2-one;tert-butyl N-(5-morpholin-4-yl-2-oxopentyl)carbamate;methane;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-morpholin-4-ylethanamine;hydrochloride.

Molecular Properties

Compound Name1-amino-5-morpholin-4-ylpentan-2-one;tert-butyl N-(5-morpholin-4-yl-2-oxopentyl)carbamate;methane;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-morpholin-4-ylethanamine;hydrochloride
PubChem CID159911179
Molecular FormulaC37H76ClN7O11
Molecular Weight830.51 g/mol
Exact Mass829.53
IUPAC Name1-amino-5-morpholin-4-ylpentan-2-one;tert-butyl N-(5-morpholin-4-yl-2-oxopentyl)carbamate;methane;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-morpholin-4-ylethanamine;hydrochloride
SMILESC.CC(C)(C)OC(=O)NCC(=O)CCCN1CCOCC1.CC(C)(C)OC(=O)NCC(=O)O.Cl.NCC(=O)CCCN1CCOCC1.NCCN1CCOCC1
InChIInChI=1S/C14H26N2O4.C9H18N2O2.C7H13NO4.C6H14N2O.CH4.ClH/c1-14(2,3)20-13(18)15-11-12(17)5-4-6-16-7-9-19-10-8-16;10-8-9(12)2-1-3-11-4-6-13-7-5-11;1-7(2,3)12-6(11)8-4-5(9)10;7-1-2-8-3-5-9-6-4-8;;/h4-11H2,1-3H3,(H,15,18);1-8,10H2;4H2,1-3H3,(H,8,11)(H,9,10);1-7H2;1H4;1H
InChIKeyCQRUIXCXVNUIMC-UHFFFAOYSA-N
XLogP1.75
TPSA237.55 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.51
LogP ≤ 51.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze 1-amino-5-morpholin-4-ylpentan-2-one;tert-butyl N-(5-morpholin-4-yl-2-oxopentyl)carbamate;methane;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-morpholin-4-ylethanamine;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-(5-morpholin-4-yl-2-oxopentyl)carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-morpholin-4-ylethanamine
CID 123640457
tert-butyl N-[(2S)-6-morpholin-4-yl-3-oxohexan-2-yl]carbamate;chloro(diazenyl)diazene;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;2-morpholin-4-ylethanamine
CID 124033119
(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;(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;2-morpholin-4-ylpropan-1-amine;hydrochloride
CID 159336559
Tert-butyl 4-(2-ethoxy-2-oxoethyl)piperazine-1-carboxylate;ethyl 2-piperazin-1-ylacetate;2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid
CID 159476106
Tert-butyl 3-morpholin-4-ylpiperidine-1-carboxylate;tert-butyl 3-oxopiperidine-1-carboxylate;morpholine;4-piperidin-3-ylmorpholine
CID 159905864
H-Ile-Gly-morpholide.Boc-Ile-Gly-morpholide.H-Gly-morpholide.Boc-Ile-OH.HCl
CID 160075342
(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;(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;2-morpholin-4-ylpropan-1-amine;hydrochloride
CID 160181966
(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-yl-2-oxoethyl)pentanamide;2-amino-1-morpholin-4-ylethanone;tert-butyl N-[(2S,3S)-3-methyl-1-[(2-morpholin-4-yl-2-oxoethyl)amino]-1-oxopentan-2-yl]carbamate;methane;(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid;hydrochloride
CID 160530443
(2S)-2-amino-6-morpholin-4-ylhexan-3-one;tert-butyl N-[(2S)-6-morpholin-4-yl-3-oxohexan-2-yl]carbamate;chloro(diazenyl)diazene;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;2-morpholin-4-ylethanamine
CID 161187859
(2S)-2-amino-6-morpholin-4-ylhexan-3-one;tert-butyl N-[(2S)-6-morpholin-4-yl-3-oxohexan-2-yl]carbamate;chloro(diazenyl)diazene;methane;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;2-morpholin-4-ylethanamine
CID 161238557
1-amino-5-morpholin-4-ylpentan-2-one;tert-butyl N-(5-morpholin-4-yl-2-oxopentyl)carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-morpholin-4-ylethanamine;hydrochloride
CID 162042061
(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 162153883

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-morpholin-4-ylpentan-2-one;tert-butyl N-(5-morpholin-4-yl-2-oxopentyl)carbamate;methane;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-morpholin-4-ylethanamine;hydrochloride?
The IUPAC name of 1-amino-5-morpholin-4-ylpentan-2-one;tert-butyl N-(5-morpholin-4-yl-2-oxopentyl)carbamate;methane;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-morpholin-4-ylethanamine;hydrochloride (CID 159911179) is 1-amino-5-morpholin-4-ylpentan-2-one;tert-butyl N-(5-morpholin-4-yl-2-oxopentyl)carbamate;methane;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-morpholin-4-ylethanamine;hydrochloride.
What is the SMILES notation for 1-amino-5-morpholin-4-ylpentan-2-one;tert-butyl N-(5-morpholin-4-yl-2-oxopentyl)carbamate;methane;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-morpholin-4-ylethanamine;hydrochloride?
The canonical SMILES for 1-amino-5-morpholin-4-ylpentan-2-one;tert-butyl N-(5-morpholin-4-yl-2-oxopentyl)carbamate;methane;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-morpholin-4-ylethanamine;hydrochloride is C.CC(C)(C)OC(=O)NCC(=O)CCCN1CCOCC1.CC(C)(C)OC(=O)NCC(=O)O.Cl.NCC(=O)CCCN1CCOCC1.NCCN1CCOCC1.
What is the InChIKey of 1-amino-5-morpholin-4-ylpentan-2-one;tert-butyl N-(5-morpholin-4-yl-2-oxopentyl)carbamate;methane;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-morpholin-4-ylethanamine;hydrochloride?
The InChIKey is CQRUIXCXVNUIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4.C9H18N2O2.C7H13NO4.C6H14N2O.CH4.ClH/c1-14(2,3)20-13(18)15-11-12(17)5-4-6-16-7-9-19-10-8-16;10-8-9(12)2-1-3-11-4-6-13-7-5-11;1-7(2,3)12-6(11)8-4-5(9)10;7-1-2-8-3-5-9-6-4-8;;/h4-11H2,1-3H3,(H,15,18);1-8,10H2;4H2,1-3H3,(H,8,11)(H,9,10);1-7H2;1H4;1H.
What are the key properties of 1-amino-5-morpholin-4-ylpentan-2-one;tert-butyl N-(5-morpholin-4-yl-2-oxopentyl)carbamate;methane;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-morpholin-4-ylethanamine;hydrochloride?
1-amino-5-morpholin-4-ylpentan-2-one;tert-butyl N-(5-morpholin-4-yl-2-oxopentyl)carbamate;methane;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-morpholin-4-ylethanamine;hydrochloride has a molecular weight of 830.51 g/mol, XLogP of 1.75, 15 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-morpholin-4-ylpentan-2-one;tert-butyl N-(5-morpholin-4-yl-2-oxopentyl)carbamate;methane;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-morpholin-4-ylethanamine;hydrochloride is sourced from PubChem (CID 159911179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).