tert-butyl 4-hydroxy-2-methyl-5-morpholin-4-ylpentanoate

C14H27NO4 — CID 121437761

IUPACtert-butyl 4-hydroxy-2-methyl-5-morpholin-4-ylpentanoate
SMILESCC(CC(O)CN1CCOCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO4/c1-11(13(17)19-14(2,3)4)9-12(16)10-15-5-7-18-8-6-15/h11-12,16H,5-10H2,1-4H3
InChIKeyISFDVSBKBRKMBW-UHFFFAOYSA-N
MW273.37 g/mol
LogP1.05
Rot. Bonds5

About tert-butyl 4-hydroxy-2-methyl-5-morpholin-4-ylpentanoate

tert-butyl 4-hydroxy-2-methyl-5-morpholin-4-ylpentanoate (PubChem CID 121437761) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-2-methyl-5-morpholin-4-ylpentanoate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-2-methyl-5-morpholin-4-ylpentanoate
PubChem CID121437761
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Nametert-butyl 4-hydroxy-2-methyl-5-morpholin-4-ylpentanoate
SMILESCC(CC(O)CN1CCOCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO4/c1-11(13(17)19-14(2,3)4)9-12(16)10-15-5-7-18-8-6-15/h11-12,16H,5-10H2,1-4H3
InChIKeyISFDVSBKBRKMBW-UHFFFAOYSA-N
XLogP1.05
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]piperazine-1-carboxylate
CID 95635851
tert-butyl N-[(2S)-1-morpholin-4-ylpropan-2-yl]carbamate
CID 58441909
[(2S)-2-hydroxy-3-morpholin-4-ylpropyl] acetate
CID 71177850
tert-butyl 4-hydroxy-5-morpholin-4-yl-2-(naphthalen-1-ylmethyl)pentanoate
CID 18948430
1-[(2-methylpropan-2-yl)oxyamino]-3-morpholin-4-ylpropan-2-ol
CID 82724312
tert-butyl 2-(3-morpholin-4-ylpropylamino)propanoate
CID 66336839
(3R)-3-hydroxy-4-morpholin-4-ylbutanamide
CID 69066222
ethyl 4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazine-1-carboxylate
CID 56827922
tert-butyl N-(4-amino-5-morpholin-4-yl-3-oxopentyl)-N-methylcarbamate
CID 174283241
methyl 3,3-dimethyl-2-(morpholin-4-ylmethyl)butanoate
CID 117242468
tert-butyl (2S)-2-morpholin-4-ylbutanoate
CID 164532351
2-methyl-3-morpholin-4-ylpropanoic acid;hydrochloride
CID 6603192

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-2-methyl-5-morpholin-4-ylpentanoate?
The IUPAC name of tert-butyl 4-hydroxy-2-methyl-5-morpholin-4-ylpentanoate (CID 121437761) is tert-butyl 4-hydroxy-2-methyl-5-morpholin-4-ylpentanoate.
What is the SMILES notation for tert-butyl 4-hydroxy-2-methyl-5-morpholin-4-ylpentanoate?
The canonical SMILES for tert-butyl 4-hydroxy-2-methyl-5-morpholin-4-ylpentanoate is CC(CC(O)CN1CCOCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-hydroxy-2-methyl-5-morpholin-4-ylpentanoate?
The InChIKey is ISFDVSBKBRKMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-11(13(17)19-14(2,3)4)9-12(16)10-15-5-7-18-8-6-15/h11-12,16H,5-10H2,1-4H3.
What are the key properties of tert-butyl 4-hydroxy-2-methyl-5-morpholin-4-ylpentanoate?
tert-butyl 4-hydroxy-2-methyl-5-morpholin-4-ylpentanoate has a molecular weight of 273.37 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-2-methyl-5-morpholin-4-ylpentanoate is sourced from PubChem (CID 121437761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).