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

C10H19NO4 — CID 106100069

IUPACmethyl 2-[(3-hydroxyoxolan-3-yl)methylamino]butanoate
SMILESCCC(NCC1(O)CCOC1)C(=O)OC
InChIInChI=1S/C10H19NO4/c1-3-8(9(12)14-2)11-6-10(13)4-5-15-7-10/h8,11,13H,3-7H2,1-2H3
InChIKeyOOBFOWOHQKXIHB-UHFFFAOYSA-N
MW217.26 g/mol
LogP-0.32
Rot. Bonds5

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

methyl 2-[(3-hydroxyoxolan-3-yl)methylamino]butanoate (PubChem CID 106100069) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is methyl 2-[(3-hydroxyoxolan-3-yl)methylamino]butanoate.

Molecular Properties

Compound Namemethyl 2-[(3-hydroxyoxolan-3-yl)methylamino]butanoate
PubChem CID106100069
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Namemethyl 2-[(3-hydroxyoxolan-3-yl)methylamino]butanoate
SMILESCCC(NCC1(O)CCOC1)C(=O)OC
InChIInChI=1S/C10H19NO4/c1-3-8(9(12)14-2)11-6-10(13)4-5-15-7-10/h8,11,13H,3-7H2,1-2H3
InChIKeyOOBFOWOHQKXIHB-UHFFFAOYSA-N
XLogP-0.32
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(4-hydroxyoxan-4-yl)methylamino]butanoate
CID 115353524
methyl 3-[(3-hydroxyoxolan-3-yl)methylamino]-2-methylbutanoate
CID 106100572
ethyl 3-[(3-hydroxyoxolan-3-yl)methylamino]butanoate
CID 106100665
methyl 2-[(4-hydroxyoxan-4-yl)methylamino]hexanoate
CID 103257015
3-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpropanamide
CID 106101303
2-[(4-hydroxyoxan-4-yl)methylamino]-3-methoxypropanoic acid
CID 103257016
2-[(3-hydroxyoxolan-3-yl)methylamino]-N,N-dimethylpropanamide
CID 106100495
3-(ethylamino)-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide
CID 106101375
methyl 2-[(1-methylcyclopentyl)methylamino]butanoate
CID 115353388
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 106101394
N'-hydroxy-3-[(3-hydroxyoxolan-3-yl)methylamino]pentanimidamide
CID 106101849
methyl 2-(3-hydroxyoxolan-3-yl)acetate
CID 115012540

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-hydroxyoxolan-3-yl)methylamino]butanoate?
The IUPAC name of methyl 2-[(3-hydroxyoxolan-3-yl)methylamino]butanoate (CID 106100069) is methyl 2-[(3-hydroxyoxolan-3-yl)methylamino]butanoate.
What is the SMILES notation for methyl 2-[(3-hydroxyoxolan-3-yl)methylamino]butanoate?
The canonical SMILES for methyl 2-[(3-hydroxyoxolan-3-yl)methylamino]butanoate is CCC(NCC1(O)CCOC1)C(=O)OC.
What is the InChIKey of methyl 2-[(3-hydroxyoxolan-3-yl)methylamino]butanoate?
The InChIKey is OOBFOWOHQKXIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-3-8(9(12)14-2)11-6-10(13)4-5-15-7-10/h8,11,13H,3-7H2,1-2H3.
What are the key properties of methyl 2-[(3-hydroxyoxolan-3-yl)methylamino]butanoate?
methyl 2-[(3-hydroxyoxolan-3-yl)methylamino]butanoate has a molecular weight of 217.26 g/mol, XLogP of -0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-hydroxyoxolan-3-yl)methylamino]butanoate is sourced from PubChem (CID 106100069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).