(2R,5S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-propan-2-ylmorpholine-2-carboxylic acid

C13H23NO5 — CID 162723825

IUPAC(2R,5S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-propan-2-ylmorpholine-2-carboxylic acid
SMILESCC(C)[C@H]1CO[C@@H](C(=O)O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO5/c1-8(2)9-7-18-10(11(15)16)6-14(9)12(17)19-13(3,4)5/h8-10H,6-7H2,1-5H3,(H,15,16)/t9-,10-/m1/s1
InChIKeyMGDPJQOUPKVSKQ-NXEZZACHSA-N
MW273.33 g/mol
LogP1.73
Rot. Bonds2

About (2R,5S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-propan-2-ylmorpholine-2-carboxylic acid

(2R,5S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-propan-2-ylmorpholine-2-carboxylic acid (PubChem CID 162723825) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is (2R,5S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-propan-2-ylmorpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-propan-2-ylmorpholine-2-carboxylic acid
PubChem CID162723825
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name(2R,5S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-propan-2-ylmorpholine-2-carboxylic acid
SMILESCC(C)[C@H]1CO[C@@H](C(=O)O)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO5/c1-8(2)9-7-18-10(11(15)16)6-14(9)12(17)19-13(3,4)5/h8-10H,6-7H2,1-5H3,(H,15,16)/t9-,10-/m1/s1
InChIKeyMGDPJQOUPKVSKQ-NXEZZACHSA-N
XLogP1.73
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-propan-2-ylaziridine-1-carboxylate
CID 73192324
tert-butyl (3S,4R)-3-but-2-ynoyl-4-methylpiperidine-1-carboxylate;tert-butyl (5S)-2-but-2-ynoyl-5-propan-2-ylmorpholine-4-carboxylate;ethane
CID 162724093
(2S,5S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-propan-2-ylmorpholine-2-carboxylic acid
CID 168864811
tert-butyl (2R,5S)-2-(2-amino-3-chlorophenyl)-5-propan-2-ylmorpholine-4-carboxylate
CID 166141538
(2S,3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-propan-2-ylazetidine-2-carboxylic acid
CID 169448535
tert-butyl (4R)-6-oxo-4-propan-2-yl-1,3-oxazinane-3-carboxylate
CID 102085083
(3S,6R)-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholine-3-carboxylic acid
CID 139014748
(2S,3S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
CID 169449252
ethane;2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
CID 178026408
tert-butyl (2R)-2,4-di(propan-2-yl)piperazine-1-carboxylate
CID 168850650
tert-butyl 4-tert-butyl-2-propan-2-ylpiperazine-1-carboxylate
CID 58334515
(2S,7S)-7-methoxy-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-oxazocane-2-carboxylic acid
CID 171841312

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-propan-2-ylmorpholine-2-carboxylic acid?
The IUPAC name of (2R,5S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-propan-2-ylmorpholine-2-carboxylic acid (CID 162723825) is (2R,5S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-propan-2-ylmorpholine-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-propan-2-ylmorpholine-2-carboxylic acid?
The canonical SMILES for (2R,5S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-propan-2-ylmorpholine-2-carboxylic acid is CC(C)[C@H]1CO[C@@H](C(=O)O)CN1C(=O)OC(C)(C)C.
What is the InChIKey of (2R,5S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-propan-2-ylmorpholine-2-carboxylic acid?
The InChIKey is MGDPJQOUPKVSKQ-NXEZZACHSA-N. The full InChI is InChI=1S/C13H23NO5/c1-8(2)9-7-18-10(11(15)16)6-14(9)12(17)19-13(3,4)5/h8-10H,6-7H2,1-5H3,(H,15,16)/t9-,10-/m1/s1.
What are the key properties of (2R,5S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-propan-2-ylmorpholine-2-carboxylic acid?
(2R,5S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-propan-2-ylmorpholine-2-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-propan-2-ylmorpholine-2-carboxylic acid is sourced from PubChem (CID 162723825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).