methyl 2-hydroxy-2-methyl-3-[(5-methylfuran-2-yl)methylamino]propanoate

C11H17NO4 — CID 104644390

IUPACmethyl 2-hydroxy-2-methyl-3-[(5-methylfuran-2-yl)methylamino]propanoate
SMILESCOC(=O)C(C)(O)CNCc1ccc(C)o1
InChIInChI=1S/C11H17NO4/c1-8-4-5-9(16-8)6-12-7-11(2,14)10(13)15-3/h4-5,12,14H,6-7H2,1-3H3
InChIKeyWQFJOLPEXJEPQK-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.60
Rot. Bonds5

About methyl 2-hydroxy-2-methyl-3-[(5-methylfuran-2-yl)methylamino]propanoate

methyl 2-hydroxy-2-methyl-3-[(5-methylfuran-2-yl)methylamino]propanoate (PubChem CID 104644390) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is methyl 2-hydroxy-2-methyl-3-[(5-methylfuran-2-yl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-methyl-3-[(5-methylfuran-2-yl)methylamino]propanoate
PubChem CID104644390
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Namemethyl 2-hydroxy-2-methyl-3-[(5-methylfuran-2-yl)methylamino]propanoate
SMILESCOC(=O)C(C)(O)CNCc1ccc(C)o1
InChIInChI=1S/C11H17NO4/c1-8-4-5-9(16-8)6-12-7-11(2,14)10(13)15-3/h4-5,12,14H,6-7H2,1-3H3
InChIKeyWQFJOLPEXJEPQK-UHFFFAOYSA-N
XLogP0.60
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-hydroxy-2-methyl-3-(1,2-oxazol-5-ylmethylamino)propanoate
CID 106417341
methyl 3-[(5-ethylfuran-2-yl)methylamino]-2,2-dimethylpropanoate
CID 113372076
methyl 2-hydroxy-3-[(4-methoxyphenyl)methylamino]-2-methylpropanoate
CID 104643690
2,3-dimethyl-1-[(5-methylfuran-2-yl)methylamino]pentan-2-ol
CID 111118884
N-(methoxymethyl)-1-(5-methylfuran-2-yl)methanamine
CID 115258606
[(5-methylfuran-2-yl)methylamino]methanol
CID 115229060
methyl 2-cyano-2-methyl-3-(5-methylfuran-2-yl)propanoate
CID 126553395
methyl 2-hydroxy-2-methyl-3-[(4-methyl-3-pyridinyl)methylamino]propanoate
CID 114955525
5-[[(5-methylfuran-2-yl)methylamino]methyl]furan-2-carboxylic acid
CID 63317717
methyl 2-[(5-methylfuran-2-yl)methylamino]-2-oxoacetate
CID 112617149
2-(3,4-dimethoxyphenyl)-2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine
CID 119124464
methyl 1-[[(5-methylfuran-2-yl)methylamino]methyl]cyclopropane-1-carboxylate
CID 115247585

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-methyl-3-[(5-methylfuran-2-yl)methylamino]propanoate?
The IUPAC name of methyl 2-hydroxy-2-methyl-3-[(5-methylfuran-2-yl)methylamino]propanoate (CID 104644390) is methyl 2-hydroxy-2-methyl-3-[(5-methylfuran-2-yl)methylamino]propanoate.
What is the SMILES notation for methyl 2-hydroxy-2-methyl-3-[(5-methylfuran-2-yl)methylamino]propanoate?
The canonical SMILES for methyl 2-hydroxy-2-methyl-3-[(5-methylfuran-2-yl)methylamino]propanoate is COC(=O)C(C)(O)CNCc1ccc(C)o1.
What is the InChIKey of methyl 2-hydroxy-2-methyl-3-[(5-methylfuran-2-yl)methylamino]propanoate?
The InChIKey is WQFJOLPEXJEPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-8-4-5-9(16-8)6-12-7-11(2,14)10(13)15-3/h4-5,12,14H,6-7H2,1-3H3.
What are the key properties of methyl 2-hydroxy-2-methyl-3-[(5-methylfuran-2-yl)methylamino]propanoate?
methyl 2-hydroxy-2-methyl-3-[(5-methylfuran-2-yl)methylamino]propanoate has a molecular weight of 227.26 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-methyl-3-[(5-methylfuran-2-yl)methylamino]propanoate is sourced from PubChem (CID 104644390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).