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

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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).