tert-butyl (2S)-2-[(1R)-1-hydroxypropyl]morpholine-4-carboxylate

C12H23NO4 — CID 58573419

IUPACtert-butyl (2S)-2-[(1R)-1-hydroxypropyl]morpholine-4-carboxylate
SMILESCC[C@@H](O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C12H23NO4/c1-5-9(14)10-8-13(6-7-16-10)11(15)17-12(2,3)4/h9-10,14H,5-8H2,1-4H3/t9-,10+/m1/s1
InChIKeyZWVVGKDZYDKWNQ-ZJUUUORDSA-N
MW245.32 g/mol
LogP1.39
Rot. Bonds2

About tert-butyl (2S)-2-[(1R)-1-hydroxypropyl]morpholine-4-carboxylate

tert-butyl (2S)-2-[(1R)-1-hydroxypropyl]morpholine-4-carboxylate (PubChem CID 58573419) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(1R)-1-hydroxypropyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(1R)-1-hydroxypropyl]morpholine-4-carboxylate
PubChem CID58573419
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Nametert-butyl (2S)-2-[(1R)-1-hydroxypropyl]morpholine-4-carboxylate
SMILESCC[C@@H](O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1
InChIInChI=1S/C12H23NO4/c1-5-9(14)10-8-13(6-7-16-10)11(15)17-12(2,3)4/h9-10,14H,5-8H2,1-4H3/t9-,10+/m1/s1
InChIKeyZWVVGKDZYDKWNQ-ZJUUUORDSA-N
XLogP1.39
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-Butyl 2-(hydroxymethyl)morpholine-4-carboxylate
CID 5201202
1-Boc-3-hydroxypiperidine
CID 545699
tert-butyl (3S)-3-hydroxypiperidine-1-carboxylate
CID 1514399
(R)-1-Boc-3-hydroxypiperidine
CID 1514398
(R)-N-Boc-2-hydroxymethylmorpholine
CID 1512576
tert-Butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate
CID 1512577
Tert-butyl 4-(2-hydroxyethoxy)piperidine-1-carboxylate
CID 22030605
tert-Butyl 4-(hydroxymethyl)-4-methoxypiperidine-1-carboxylate
CID 23447302
(R)-3-Carboxymethoxy-piperidine-1-carboxylic acid tert-butyl ester
CID 31164575
(S)-3-Carboxymethoxy-piperidine-1-carboxylic acid tert-butyl ester
CID 40429387
2-({1-[(Tert-butoxy)carbonyl]piperidin-3-yl}oxy)acetic acid
CID 42614544
tert-Butyl 2-(2-hydroxyethyl)morpholine-4-carboxylate
CID 44182317

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(1R)-1-hydroxypropyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[(1R)-1-hydroxypropyl]morpholine-4-carboxylate (CID 58573419) is tert-butyl (2S)-2-[(1R)-1-hydroxypropyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[(1R)-1-hydroxypropyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[(1R)-1-hydroxypropyl]morpholine-4-carboxylate is CC[C@@H](O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1.
What is the InChIKey of tert-butyl (2S)-2-[(1R)-1-hydroxypropyl]morpholine-4-carboxylate?
The InChIKey is ZWVVGKDZYDKWNQ-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H23NO4/c1-5-9(14)10-8-13(6-7-16-10)11(15)17-12(2,3)4/h9-10,14H,5-8H2,1-4H3/t9-,10+/m1/s1.
What are the key properties of tert-butyl (2S)-2-[(1R)-1-hydroxypropyl]morpholine-4-carboxylate?
tert-butyl (2S)-2-[(1R)-1-hydroxypropyl]morpholine-4-carboxylate has a molecular weight of 245.32 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[(1R)-1-hydroxypropyl]morpholine-4-carboxylate is sourced from PubChem (CID 58573419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).