tert-butyl N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamate

C14H26N2O4 — CID 10869892

IUPACtert-butyl N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamate
SMILESCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOCC1
InChIInChI=1S/C14H26N2O4/c1-10(2)11(15-13(18)20-14(3,4)5)12(17)16-6-8-19-9-7-16/h10-11H,6-9H2,1-5H3,(H,15,18)/t11-/m0/s1
InChIKeyWDSZDNSRSIRXOV-NSHDSACASA-N
MW286.37 g/mol
LogP1.39
Rot. Bonds3

About tert-butyl N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamate

tert-butyl N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamate (PubChem CID 10869892) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is tert-butyl N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamate
PubChem CID10869892
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Nametert-butyl N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamate
SMILESCC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOCC1
InChIInChI=1S/C14H26N2O4/c1-10(2)11(15-13(18)20-14(3,4)5)12(17)16-6-8-19-9-7-16/h10-11H,6-9H2,1-5H3,(H,15,18)/t11-/m0/s1
InChIKeyWDSZDNSRSIRXOV-NSHDSACASA-N
XLogP1.39
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S)-2-[[2-(tert-butoxycarbonylamino)acetyl]amino]-3-methyl-butanoate
CID 71454071
tert-butyl (2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoate
CID 71461223
1-tert-Butyl 3-ethyl piperazine-1,3-dicarboxylate
CID 11402671
tert-Butyl (2-morpholino-2-oxoethyl)carbamate
CID 10538259
1-tert-Butyl 3-methyl 5-oxopiperazine-1,3-dicarboxylate
CID 59817704
(S)-1-(tert-Butyl) 3-methyl 5-oxopiperazine-1,3-dicarboxylate
CID 86690594
1-(tert-Butyl) 3-methyl (R)-5-oxopiperazine-1,3-dicarboxylate
CID 126509897
tert-butyl N-{1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl}carbamate
CID 66566325
(2S)-2-amino-3-methyl-1-(morpholin-4-yl)butan-1-one
CID 14963842
Methyl 3-methyl-2-(2'-oxo-3'-isopropyl-1'-piperazinyl)butanoate
CID 131920
BOC-Val-Ala-OMe
CID 5191446
(S)-Methyl 2-((S)-2-((tert-butoxycarbonyl)amino)-3-methylbutanamido)propanoate
CID 6999427

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamate (CID 10869892) is tert-butyl N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamate is CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOCC1.
What is the InChIKey of tert-butyl N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamate?
The InChIKey is WDSZDNSRSIRXOV-NSHDSACASA-N. The full InChI is InChI=1S/C14H26N2O4/c1-10(2)11(15-13(18)20-14(3,4)5)12(17)16-6-8-19-9-7-16/h10-11H,6-9H2,1-5H3,(H,15,18)/t11-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamate?
tert-butyl N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamate has a molecular weight of 286.37 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 10869892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).