tert-butyl (2R,5S)-4-(2-amino-2-oxoethyl)-2-methyl-5-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazine-1-carboxylate

C18H34N4O4 — CID 139452368

IUPACtert-butyl (2R,5S)-4-(2-amino-2-oxoethyl)-2-methyl-5-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazine-1-carboxylate
SMILESC[C@@H]1COCCN1C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1CC(N)=O
InChIInChI=1S/C18H34N4O4/c1-13-8-21(11-16(19)23)15(9-20-6-7-25-12-14(20)2)10-22(13)17(24)26-18(3,4)5/h13-15H,6-12H2,1-5H3,(H2,19,23)/t13-,14-,15+/m1/s1
InChIKeyVXPCLRWPAXLNRM-KFWWJZLASA-N
MW370.49 g/mol
LogP0.50
Rot. Bonds4

About tert-butyl (2R,5S)-4-(2-amino-2-oxoethyl)-2-methyl-5-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazine-1-carboxylate

tert-butyl (2R,5S)-4-(2-amino-2-oxoethyl)-2-methyl-5-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazine-1-carboxylate (PubChem CID 139452368) has the molecular formula C18H34N4O4 and a molecular weight of 370.49 g/mol. Its IUPAC name is tert-butyl (2R,5S)-4-(2-amino-2-oxoethyl)-2-methyl-5-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,5S)-4-(2-amino-2-oxoethyl)-2-methyl-5-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazine-1-carboxylate
PubChem CID139452368
Molecular FormulaC18H34N4O4
Molecular Weight370.49 g/mol
Exact Mass370.26
IUPAC Nametert-butyl (2R,5S)-4-(2-amino-2-oxoethyl)-2-methyl-5-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazine-1-carboxylate
SMILESC[C@@H]1COCCN1C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1CC(N)=O
InChIInChI=1S/C18H34N4O4/c1-13-8-21(11-16(19)23)15(9-20-6-7-25-12-14(20)2)10-22(13)17(24)26-18(3,4)5/h13-15H,6-12H2,1-5H3,(H2,19,23)/t13-,14-,15+/m1/s1
InChIKeyVXPCLRWPAXLNRM-KFWWJZLASA-N
XLogP0.50
TPSA88.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl (2R,5S)-4-(2-amino-2-oxoethyl)-2-methyl-5-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

(2R,5S)-tert-butyl 2-methyl-5-(((R)-3-methylmorpholino)methyl)piperazine-1-carboxylate
CID 70980298
Tert-butyl 2-methyl-4-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]piperazine-1-carboxylate
CID 72126141
[4-[(2S,3R)-3-[4-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxymethyl]-3,5-dioxopiperazin-1-yl]butan-2-yl]-2,6-dioxopiperazin-1-yl]methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 18659529
[4-[3-[4-[2-[(2-Methylpropan-2-yl)oxycarbonylamino]propanoyloxymethyl]-3,5-dioxopiperazin-1-yl]butan-2-yl]-2,6-dioxopiperazin-1-yl]methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 20088611
tert-butyl N-[(2R)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-morpholin-4-yl-1-oxopropan-2-yl]carbamate
CID 23540253
[4-[3-(3,5-Dioxopiperazin-1-yl)butan-2-yl]-2,6-dioxopiperazin-1-yl]methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 54079022
[4-[(2S,3R)-3-[4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]oxymethyl]-3,5-dioxopiperazin-1-yl]butan-2-yl]-2,6-dioxopiperazin-1-yl]methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 54154688
[4-[3-[4-[[2-[(2-Methylpropan-2-yl)oxycarbonylamino]acetyl]oxymethyl]-3,5-dioxopiperazin-1-yl]butan-2-yl]-2,6-dioxopiperazin-1-yl]methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 54154689
[4-[3-(3,5-Dioxopiperazin-1-yl)butan-2-yl]-2,6-dioxopiperazin-1-yl]methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 54300505
Tert-butyl 4-[1-(2-ethoxy-2-oxoethyl)piperidin-4-yl]piperazine-1-carboxylate
CID 54524982
Tert-butyl 4-(3-morpholin-4-ylpropyl)-3-oxopiperazine-1-carboxylate
CID 57445035
Ethyl([1,4']bipiperidinyl-4-yl-tert-butoxycarbonyl-amino)-acetate
CID 57807378

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,5S)-4-(2-amino-2-oxoethyl)-2-methyl-5-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl (2R,5S)-4-(2-amino-2-oxoethyl)-2-methyl-5-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazine-1-carboxylate (CID 139452368) is tert-butyl (2R,5S)-4-(2-amino-2-oxoethyl)-2-methyl-5-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,5S)-4-(2-amino-2-oxoethyl)-2-methyl-5-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,5S)-4-(2-amino-2-oxoethyl)-2-methyl-5-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazine-1-carboxylate is C[C@@H]1COCCN1C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1CC(N)=O.
What is the InChIKey of tert-butyl (2R,5S)-4-(2-amino-2-oxoethyl)-2-methyl-5-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazine-1-carboxylate?
The InChIKey is VXPCLRWPAXLNRM-KFWWJZLASA-N. The full InChI is InChI=1S/C18H34N4O4/c1-13-8-21(11-16(19)23)15(9-20-6-7-25-12-14(20)2)10-22(13)17(24)26-18(3,4)5/h13-15H,6-12H2,1-5H3,(H2,19,23)/t13-,14-,15+/m1/s1.
What are the key properties of tert-butyl (2R,5S)-4-(2-amino-2-oxoethyl)-2-methyl-5-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazine-1-carboxylate?
tert-butyl (2R,5S)-4-(2-amino-2-oxoethyl)-2-methyl-5-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazine-1-carboxylate has a molecular weight of 370.49 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,5S)-4-(2-amino-2-oxoethyl)-2-methyl-5-[[(3R)-3-methylmorpholin-4-yl]methyl]piperazine-1-carboxylate is sourced from PubChem (CID 139452368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).