methyl (2S,3R)-4,4-dimethyl-3-(propylamino)oxolane-2-carboxylate

C11H21NO3 — CID 46184063

IUPACmethyl (2S,3R)-4,4-dimethyl-3-(propylamino)oxolane-2-carboxylate
SMILESCCCN[C@H]1[C@@H](C(=O)OC)OCC1(C)C
InChIInChI=1S/C11H21NO3/c1-5-6-12-9-8(10(13)14-4)15-7-11(9,2)3/h8-9,12H,5-7H2,1-4H3/t8-,9-/m0/s1
InChIKeyMWGCUYOMBPZYDR-IUCAKERBSA-N
MW215.29 g/mol
LogP0.95
Rot. Bonds4

About methyl (2S,3R)-4,4-dimethyl-3-(propylamino)oxolane-2-carboxylate

methyl (2S,3R)-4,4-dimethyl-3-(propylamino)oxolane-2-carboxylate (PubChem CID 46184063) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl (2S,3R)-4,4-dimethyl-3-(propylamino)oxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,3R)-4,4-dimethyl-3-(propylamino)oxolane-2-carboxylate
PubChem CID46184063
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl (2S,3R)-4,4-dimethyl-3-(propylamino)oxolane-2-carboxylate
SMILESCCCN[C@H]1[C@@H](C(=O)OC)OCC1(C)C
InChIInChI=1S/C11H21NO3/c1-5-6-12-9-8(10(13)14-4)15-7-11(9,2)3/h8-9,12H,5-7H2,1-4H3/t8-,9-/m0/s1
InChIKeyMWGCUYOMBPZYDR-IUCAKERBSA-N
XLogP0.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S,3R)-4,4-dimethyl-3-(propan-2-ylamino)oxolane-2-carboxylate
CID 46186034
methyl 4-(propylamino)oxolane-3-carboxylate
CID 66252301
methyl 3-(chloromethyl)oxolane-2-carboxylate
CID 10012490
methyl (2R,3R,5R,6R)-3-(dipropylcarbamoyl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate
CID 11462575
7,7-dimethyl-N-propyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 54594844
methyl 3-(methoxymethyl)oxolane-2-carboxylate
CID 122360164
methyl 3-methyl-3-pentyloxirane-2-carboxylate
CID 80558710
2-[3,3-dimethyl-2-(propylamino)cyclopentyl]sulfinylacetamide
CID 114232022
methyl 2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-4-carboxylate
CID 175959014
(3-methoxy-3-methylpiperidin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone
CID 107392404
5-butylsulfonyl-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79863450
methyl 5-(2-hydroxyacetyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 76718826

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R)-4,4-dimethyl-3-(propylamino)oxolane-2-carboxylate?
The IUPAC name of methyl (2S,3R)-4,4-dimethyl-3-(propylamino)oxolane-2-carboxylate (CID 46184063) is methyl (2S,3R)-4,4-dimethyl-3-(propylamino)oxolane-2-carboxylate.
What is the SMILES notation for methyl (2S,3R)-4,4-dimethyl-3-(propylamino)oxolane-2-carboxylate?
The canonical SMILES for methyl (2S,3R)-4,4-dimethyl-3-(propylamino)oxolane-2-carboxylate is CCCN[C@H]1[C@@H](C(=O)OC)OCC1(C)C.
What is the InChIKey of methyl (2S,3R)-4,4-dimethyl-3-(propylamino)oxolane-2-carboxylate?
The InChIKey is MWGCUYOMBPZYDR-IUCAKERBSA-N. The full InChI is InChI=1S/C11H21NO3/c1-5-6-12-9-8(10(13)14-4)15-7-11(9,2)3/h8-9,12H,5-7H2,1-4H3/t8-,9-/m0/s1.
What are the key properties of methyl (2S,3R)-4,4-dimethyl-3-(propylamino)oxolane-2-carboxylate?
methyl (2S,3R)-4,4-dimethyl-3-(propylamino)oxolane-2-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R)-4,4-dimethyl-3-(propylamino)oxolane-2-carboxylate is sourced from PubChem (CID 46184063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).