[(2R,3R)-2-methyl-4-propan-2-ylmorpholin-3-yl] formate

C9H17NO3 — CID 118118147

IUPAC[(2R,3R)-2-methyl-4-propan-2-ylmorpholin-3-yl] formate
SMILESCC(C)N1CCO[C@H](C)[C@H]1OC=O
InChIInChI=1S/C9H17NO3/c1-7(2)10-4-5-12-8(3)9(10)13-6-11/h6-9H,4-5H2,1-3H3/t8-,9-/m1/s1
InChIKeyWBZXLAJVORKGQK-RKDXNWHRSA-N
MW187.24 g/mol
LogP0.61
Rot. Bonds3

About [(2R,3R)-2-methyl-4-propan-2-ylmorpholin-3-yl] formate

[(2R,3R)-2-methyl-4-propan-2-ylmorpholin-3-yl] formate (PubChem CID 118118147) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is [(2R,3R)-2-methyl-4-propan-2-ylmorpholin-3-yl] formate.

Molecular Properties

Compound Name[(2R,3R)-2-methyl-4-propan-2-ylmorpholin-3-yl] formate
PubChem CID118118147
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name[(2R,3R)-2-methyl-4-propan-2-ylmorpholin-3-yl] formate
SMILESCC(C)N1CCO[C@H](C)[C@H]1OC=O
InChIInChI=1S/C9H17NO3/c1-7(2)10-4-5-12-8(3)9(10)13-6-11/h6-9H,4-5H2,1-3H3/t8-,9-/m1/s1
InChIKeyWBZXLAJVORKGQK-RKDXNWHRSA-N
XLogP0.61
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-methyl-4-propan-2-ylmorpholin-3-yl] formate?
The IUPAC name of [(2R,3R)-2-methyl-4-propan-2-ylmorpholin-3-yl] formate (CID 118118147) is [(2R,3R)-2-methyl-4-propan-2-ylmorpholin-3-yl] formate.
What is the SMILES notation for [(2R,3R)-2-methyl-4-propan-2-ylmorpholin-3-yl] formate?
The canonical SMILES for [(2R,3R)-2-methyl-4-propan-2-ylmorpholin-3-yl] formate is CC(C)N1CCO[C@H](C)[C@H]1OC=O.
What is the InChIKey of [(2R,3R)-2-methyl-4-propan-2-ylmorpholin-3-yl] formate?
The InChIKey is WBZXLAJVORKGQK-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7(2)10-4-5-12-8(3)9(10)13-6-11/h6-9H,4-5H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of [(2R,3R)-2-methyl-4-propan-2-ylmorpholin-3-yl] formate?
[(2R,3R)-2-methyl-4-propan-2-ylmorpholin-3-yl] formate has a molecular weight of 187.24 g/mol, XLogP of 0.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-methyl-4-propan-2-ylmorpholin-3-yl] formate is sourced from PubChem (CID 118118147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).