methyl 2-(furan-3-ylmethylamino)-2-methylpropanoate

C10H15NO3 — CID 63204726

IUPACmethyl 2-(furan-3-ylmethylamino)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NCc1ccoc1
InChIInChI=1S/C10H15NO3/c1-10(2,9(12)13-3)11-6-8-4-5-14-7-8/h4-5,7,11H,6H2,1-3H3
InChIKeyNGCWCNGUBLOZGX-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.32
Rot. Bonds4

About methyl 2-(furan-3-ylmethylamino)-2-methylpropanoate

methyl 2-(furan-3-ylmethylamino)-2-methylpropanoate (PubChem CID 63204726) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is methyl 2-(furan-3-ylmethylamino)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(furan-3-ylmethylamino)-2-methylpropanoate
PubChem CID63204726
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Namemethyl 2-(furan-3-ylmethylamino)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NCc1ccoc1
InChIInChI=1S/C10H15NO3/c1-10(2,9(12)13-3)11-6-8-4-5-14-7-8/h4-5,7,11H,6H2,1-3H3
InChIKeyNGCWCNGUBLOZGX-UHFFFAOYSA-N
XLogP1.32
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-3-ylmethylamino)-2-methylpropanoic acid
CID 83171452
methyl 2-(benzylamino)-2-methylpropanoate
CID 12707382
tert-butyl N-(furan-3-ylmethyl)carbamate
CID 45091890
methyl 2-[(3,4-dihydroxyphenyl)methylamino]-2-methylpropanoate
CID 43725940
3-(furan-3-ylmethylamino)-3-methylbutan-1-ol
CID 115655869
methyl N-[4-(furan-3-ylmethylamino)phenyl]carbamate
CID 55161652
methyl 2-methyl-2-[[4-(methylcarbamoyl)phenyl]methylamino]propanoate
CID 54888825
N-(furan-3-ylmethyl)-2,4,4-trimethylpentan-2-amine
CID 62998644
3-ethyl-N-(furan-3-ylmethyl)pentan-3-amine
CID 65039941
methyl 2-[(1-tert-butylpyrazol-4-yl)methylamino]-2-methylpropanoate
CID 43787222
methyl 2-[(2-ethylphenyl)methylamino]-2-methylpropanoate
CID 62391585
tert-butyl 2-(furan-3-ylmethylamino)propanoate
CID 115626166

Frequently Asked Questions

What is the IUPAC name of methyl 2-(furan-3-ylmethylamino)-2-methylpropanoate?
The IUPAC name of methyl 2-(furan-3-ylmethylamino)-2-methylpropanoate (CID 63204726) is methyl 2-(furan-3-ylmethylamino)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(furan-3-ylmethylamino)-2-methylpropanoate?
The canonical SMILES for methyl 2-(furan-3-ylmethylamino)-2-methylpropanoate is COC(=O)C(C)(C)NCc1ccoc1.
What is the InChIKey of methyl 2-(furan-3-ylmethylamino)-2-methylpropanoate?
The InChIKey is NGCWCNGUBLOZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-10(2,9(12)13-3)11-6-8-4-5-14-7-8/h4-5,7,11H,6H2,1-3H3.
What are the key properties of methyl 2-(furan-3-ylmethylamino)-2-methylpropanoate?
methyl 2-(furan-3-ylmethylamino)-2-methylpropanoate has a molecular weight of 197.23 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(furan-3-ylmethylamino)-2-methylpropanoate is sourced from PubChem (CID 63204726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).