methyl 3-[(3-hydroxyoxolan-3-yl)methylamino]-2-methylbutanoate

C11H21NO4 — CID 106100572

IUPACmethyl 3-[(3-hydroxyoxolan-3-yl)methylamino]-2-methylbutanoate
SMILESCOC(=O)C(C)C(C)NCC1(O)CCOC1
InChIInChI=1S/C11H21NO4/c1-8(10(13)15-3)9(2)12-6-11(14)4-5-16-7-11/h8-9,12,14H,4-7H2,1-3H3
InChIKeyGCQHRIGAOYJNHI-UHFFFAOYSA-N
MW231.29 g/mol
LogP-0.08
Rot. Bonds5

About methyl 3-[(3-hydroxyoxolan-3-yl)methylamino]-2-methylbutanoate

methyl 3-[(3-hydroxyoxolan-3-yl)methylamino]-2-methylbutanoate (PubChem CID 106100572) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is methyl 3-[(3-hydroxyoxolan-3-yl)methylamino]-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 3-[(3-hydroxyoxolan-3-yl)methylamino]-2-methylbutanoate
PubChem CID106100572
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Namemethyl 3-[(3-hydroxyoxolan-3-yl)methylamino]-2-methylbutanoate
SMILESCOC(=O)C(C)C(C)NCC1(O)CCOC1
InChIInChI=1S/C11H21NO4/c1-8(10(13)15-3)9(2)12-6-11(14)4-5-16-7-11/h8-9,12,14H,4-7H2,1-3H3
InChIKeyGCQHRIGAOYJNHI-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

methyl 2-[(3-hydroxyoxolan-3-yl)methylamino]butanoate
CID 106100069
methyl 3-[(1-hydroxycyclopentyl)methylamino]-2-methylbutanoate
CID 79398493
ethyl 3-[(3-hydroxyoxolan-3-yl)methylamino]butanoate
CID 106100665
methyl 3-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-2-methylbutanoate
CID 79396736
2-[(3-hydroxyoxolan-3-yl)methylamino]-N,N-dimethylpropanamide
CID 106100495
methyl 2-[(4-hydroxyoxan-4-yl)methylamino]butanoate
CID 115353524
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 106101394
3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide
CID 106101303
3-(ethylamino)-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide
CID 106101375
3-[(2-methoxypropylamino)methyl]oxolan-3-ol
CID 106100785
(2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpentanamide
CID 106101485
1-(azepan-1-yl)-2-[(3-hydroxyoxolan-3-yl)methylamino]propan-1-one
CID 106100801

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-hydroxyoxolan-3-yl)methylamino]-2-methylbutanoate?
The IUPAC name of methyl 3-[(3-hydroxyoxolan-3-yl)methylamino]-2-methylbutanoate (CID 106100572) is methyl 3-[(3-hydroxyoxolan-3-yl)methylamino]-2-methylbutanoate.
What is the SMILES notation for methyl 3-[(3-hydroxyoxolan-3-yl)methylamino]-2-methylbutanoate?
The canonical SMILES for methyl 3-[(3-hydroxyoxolan-3-yl)methylamino]-2-methylbutanoate is COC(=O)C(C)C(C)NCC1(O)CCOC1.
What is the InChIKey of methyl 3-[(3-hydroxyoxolan-3-yl)methylamino]-2-methylbutanoate?
The InChIKey is GCQHRIGAOYJNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-8(10(13)15-3)9(2)12-6-11(14)4-5-16-7-11/h8-9,12,14H,4-7H2,1-3H3.
What are the key properties of methyl 3-[(3-hydroxyoxolan-3-yl)methylamino]-2-methylbutanoate?
methyl 3-[(3-hydroxyoxolan-3-yl)methylamino]-2-methylbutanoate 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-hydroxyoxolan-3-yl)methylamino]-2-methylbutanoate is sourced from PubChem (CID 106100572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).