(2S,5S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-propan-2-ylmorpholine-2-carboxylic acid

C14H25NO5 — CID 168864811

IUPAC(2S,5S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-propan-2-ylmorpholine-2-carboxylic acid
SMILESCC(C)[C@H]1CO[C@H](C(=O)O)C(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO5/c1-8(2)10-7-19-11(12(16)17)9(3)15(10)13(18)20-14(4,5)6/h8-11H,7H2,1-6H3,(H,16,17)/t9?,10-,11+/m1/s1
InChIKeySINSIOPWSNYCBZ-ZOCYIJKUSA-N
MW287.36 g/mol
LogP2.12
Rot. Bonds2

About (2S,5S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-propan-2-ylmorpholine-2-carboxylic acid

(2S,5S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-propan-2-ylmorpholine-2-carboxylic acid (PubChem CID 168864811) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is (2S,5S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-propan-2-ylmorpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,5S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-propan-2-ylmorpholine-2-carboxylic acid
PubChem CID168864811
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Name(2S,5S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-propan-2-ylmorpholine-2-carboxylic acid
SMILESCC(C)[C@H]1CO[C@H](C(=O)O)C(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO5/c1-8(2)10-7-19-11(12(16)17)9(3)15(10)13(18)20-14(4,5)6/h8-11H,7H2,1-6H3,(H,16,17)/t9?,10-,11+/m1/s1
InChIKeySINSIOPWSNYCBZ-ZOCYIJKUSA-N
XLogP2.12
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,5S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-propan-2-ylmorpholine-2-carboxylic acid with MolForge

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Related Compounds

(2R,5S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-propan-2-ylmorpholine-2-carboxylic acid
CID 162723825
tert-butyl 2-propan-2-ylaziridine-1-carboxylate
CID 73192324
(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 3-(2-hydroxypropyl)-5-methylmorpholine-4-carboxylate
CID 116685532
tert-butyl (6R)-2,6-dimethylpiperidine-1-carboxylate
CID 144878026
(2R,4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid
CID 130942964
(2S,4R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid
CID 155904136
tert-butyl (2S,6R)-4-hydroxy-2,6-dimethylpiperidine-1-carboxylate
CID 67823358
(1S,4S,6R,7S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-7-(trifluoromethyl)-2-oxa-5-azabicyclo[4.1.0]heptane-4-carboxylic acid
CID 51922121
3-O-tert-butyl 4-O-propan-2-yl (2S,4S)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate
CID 164784727
3-O-tert-butyl 4-O-propan-2-yl (2S,4R)-2-tert-butyl-1,3-oxazolidine-3,4-dicarboxylate
CID 155185679

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-propan-2-ylmorpholine-2-carboxylic acid?
The IUPAC name of (2S,5S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-propan-2-ylmorpholine-2-carboxylic acid (CID 168864811) is (2S,5S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-propan-2-ylmorpholine-2-carboxylic acid.
What is the SMILES notation for (2S,5S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-propan-2-ylmorpholine-2-carboxylic acid?
The canonical SMILES for (2S,5S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-propan-2-ylmorpholine-2-carboxylic acid is CC(C)[C@H]1CO[C@H](C(=O)O)C(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of (2S,5S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-propan-2-ylmorpholine-2-carboxylic acid?
The InChIKey is SINSIOPWSNYCBZ-ZOCYIJKUSA-N. The full InChI is InChI=1S/C14H25NO5/c1-8(2)10-7-19-11(12(16)17)9(3)15(10)13(18)20-14(4,5)6/h8-11H,7H2,1-6H3,(H,16,17)/t9?,10-,11+/m1/s1.
What are the key properties of (2S,5S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-propan-2-ylmorpholine-2-carboxylic acid?
(2S,5S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-propan-2-ylmorpholine-2-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-propan-2-ylmorpholine-2-carboxylic acid is sourced from PubChem (CID 168864811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).