tert-butyl N-(5-morpholin-4-yl-2-oxopentyl)carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-morpholin-4-ylethanamine

C27H53N5O9 — CID 123640457

IUPACtert-butyl N-(5-morpholin-4-yl-2-oxopentyl)carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-morpholin-4-ylethanamine
SMILESCC(C)(C)OC(=O)NCC(=O)CCCN1CCOCC1.CC(C)(C)OC(=O)NCC(=O)O.NCCN1CCOCC1
InChIInChI=1S/C14H26N2O4.C7H13NO4.C6H14N2O/c1-14(2,3)20-13(18)15-11-12(17)5-4-6-16-7-9-19-10-8-16;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);4H2,1-3H3,(H,8,11)(H,9,10);1-7H2
InChIKeyQNCFTJKSCOQUMC-UHFFFAOYSA-N
MW591.75 g/mol
LogP1.07
Rot. Bonds10

About tert-butyl N-(5-morpholin-4-yl-2-oxopentyl)carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-morpholin-4-ylethanamine

tert-butyl N-(5-morpholin-4-yl-2-oxopentyl)carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-morpholin-4-ylethanamine (PubChem CID 123640457) has the molecular formula C27H53N5O9 and a molecular weight of 591.75 g/mol. Its IUPAC name is tert-butyl N-(5-morpholin-4-yl-2-oxopentyl)carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-morpholin-4-ylethanamine.

Molecular Properties

Compound Nametert-butyl N-(5-morpholin-4-yl-2-oxopentyl)carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-morpholin-4-ylethanamine
PubChem CID123640457
Molecular FormulaC27H53N5O9
Molecular Weight591.75 g/mol
Exact Mass591.38
IUPAC Nametert-butyl N-(5-morpholin-4-yl-2-oxopentyl)carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-morpholin-4-ylethanamine
SMILESCC(C)(C)OC(=O)NCC(=O)CCCN1CCOCC1.CC(C)(C)OC(=O)NCC(=O)O.NCCN1CCOCC1
InChIInChI=1S/C14H26N2O4.C7H13NO4.C6H14N2O/c1-14(2,3)20-13(18)15-11-12(17)5-4-6-16-7-9-19-10-8-16;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);4H2,1-3H3,(H,8,11)(H,9,10);1-7H2
InChIKeyQNCFTJKSCOQUMC-UHFFFAOYSA-N
XLogP1.07
TPSA181.99 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.75
LogP ≤ 51.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

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Related Compounds

tert-butyl N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxo-4-piperidin-1-ylbutan-2-yl]-2-oxopyrrolidin-3-yl]carbamate
CID 91120592
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
tert-butyl N-piperidin-3-ylcarbamate;ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]acetate;hydrochloride
CID 158987462
2-Amino-1-piperidin-1-ylethanone;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;piperidine;hydrochloride
CID 159025385
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
H-Abu-morpholide.Boc-Abu-morpholide
CID 161466374
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
Tert-butyl 2-aminoacetate;2-(2-oxopiperidin-1-yl)acetic acid;2-[[2-(2-oxopiperidin-1-yl)acetyl]amino]acetic acid;hydrochloride
CID 167707933
Tert-butyl 2-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4-(piperazine-1-carbonyl)piperidin-1-ium-1-yl]acetate
CID 172499481
Tert-butyl 2-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-4-(piperidine-4-carbonyl)piperazin-1-ium-1-yl]acetate
CID 178264645
tert-butyl N-[4-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-4-oxobutyl]carbamate
CID 55496345
tert-butyl N-[3-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate
CID 110613853

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-morpholin-4-yl-2-oxopentyl)carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-morpholin-4-ylethanamine?
The IUPAC name of tert-butyl N-(5-morpholin-4-yl-2-oxopentyl)carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-morpholin-4-ylethanamine (CID 123640457) is tert-butyl N-(5-morpholin-4-yl-2-oxopentyl)carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-morpholin-4-ylethanamine.
What is the SMILES notation for tert-butyl N-(5-morpholin-4-yl-2-oxopentyl)carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-morpholin-4-ylethanamine?
The canonical SMILES for tert-butyl N-(5-morpholin-4-yl-2-oxopentyl)carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-morpholin-4-ylethanamine is CC(C)(C)OC(=O)NCC(=O)CCCN1CCOCC1.CC(C)(C)OC(=O)NCC(=O)O.NCCN1CCOCC1.
What is the InChIKey of tert-butyl N-(5-morpholin-4-yl-2-oxopentyl)carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-morpholin-4-ylethanamine?
The InChIKey is QNCFTJKSCOQUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4.C7H13NO4.C6H14N2O/c1-14(2,3)20-13(18)15-11-12(17)5-4-6-16-7-9-19-10-8-16;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);4H2,1-3H3,(H,8,11)(H,9,10);1-7H2.
What are the key properties of tert-butyl N-(5-morpholin-4-yl-2-oxopentyl)carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-morpholin-4-ylethanamine?
tert-butyl N-(5-morpholin-4-yl-2-oxopentyl)carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-morpholin-4-ylethanamine has a molecular weight of 591.75 g/mol, XLogP of 1.07, 10 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-morpholin-4-yl-2-oxopentyl)carbamate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;2-morpholin-4-ylethanamine is sourced from PubChem (CID 123640457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).