methyl 3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-methylpropanoate

C11H21NO4 — CID 106101091

IUPACmethyl 3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CNCC1(O)CCOC1C
InChIInChI=1S/C11H21NO4/c1-8(10(13)15-3)6-12-7-11(14)4-5-16-9(11)2/h8-9,12,14H,4-7H2,1-3H3
InChIKeyPNGQLAGNSBFEQO-UHFFFAOYSA-N
MW231.29 g/mol
LogP-0.08
Rot. Bonds5

About methyl 3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-methylpropanoate

methyl 3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-methylpropanoate (PubChem CID 106101091) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is methyl 3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-methylpropanoate
PubChem CID106101091
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Namemethyl 3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CNCC1(O)CCOC1C
InChIInChI=1S/C11H21NO4/c1-8(10(13)15-3)6-12-7-11(14)4-5-16-9(11)2/h8-9,12,14H,4-7H2,1-3H3
InChIKeyPNGQLAGNSBFEQO-UHFFFAOYSA-N
XLogP-0.08
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]propanamide
CID 106101086
3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]propanoic acid
CID 106101058
3-hydroxy-2-methyl-3-[(sulfamoylamino)methyl]oxolane
CID 107268641
3-[(3,3-diethoxypropylamino)methyl]-2-methyloxolan-3-ol
CID 114143474
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107302191
4-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methoxybutanamide
CID 106101560
2-methyl-3-[(oxan-4-ylmethylamino)methyl]oxolan-3-ol
CID 107268217
3-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylpentanamide
CID 114143597
6-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylheptanamide
CID 106101679
ethyl 2-[2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]ethoxy]acetate
CID 114143694
2-amino-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide
CID 106101609
3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxy-2-methyloxolan-3-yl)methylamino]methyl]propanimidamide
CID 106101863

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-methylpropanoate (CID 106101091) is methyl 3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-methylpropanoate is COC(=O)C(C)CNCC1(O)CCOC1C.
What is the InChIKey of methyl 3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-methylpropanoate?
The InChIKey is PNGQLAGNSBFEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-8(10(13)15-3)6-12-7-11(14)4-5-16-9(11)2/h8-9,12,14H,4-7H2,1-3H3.
What are the key properties of methyl 3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-methylpropanoate?
methyl 3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-methylpropanoate has a molecular weight of 231.29 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-2-methylpropanoate is sourced from PubChem (CID 106101091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).