3-[1-(furan-2-yl)ethyl-methylamino]-2-methylpropanoic acid

C11H17NO3 — CID 65067582

IUPAC3-[1-(furan-2-yl)ethyl-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(C)c1ccco1)C(=O)O
InChIInChI=1S/C11H17NO3/c1-8(11(13)14)7-12(3)9(2)10-5-4-6-15-10/h4-6,8-9H,7H2,1-3H3,(H,13,14)
InChIKeyCHOMUFPHUDPMMA-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.99
Rot. Bonds5

About 3-[1-(furan-2-yl)ethyl-methylamino]-2-methylpropanoic acid

3-[1-(furan-2-yl)ethyl-methylamino]-2-methylpropanoic acid (PubChem CID 65067582) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-[1-(furan-2-yl)ethyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[1-(furan-2-yl)ethyl-methylamino]-2-methylpropanoic acid
PubChem CID65067582
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name3-[1-(furan-2-yl)ethyl-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(C)c1ccco1)C(=O)O
InChIInChI=1S/C11H17NO3/c1-8(11(13)14)7-12(3)9(2)10-5-4-6-15-10/h4-6,8-9H,7H2,1-3H3,(H,13,14)
InChIKeyCHOMUFPHUDPMMA-UHFFFAOYSA-N
XLogP1.99
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(4-hydroxyphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 65072257
N-[1-(furan-2-yl)ethyl]-N,4-dimethylpentanamide
CID 78853140
2-[2-[1-(furan-2-yl)ethyl-methylamino]ethyl]benzoic acid
CID 104548988
3-chloro-2-[[1-(furan-2-yl)ethyl-methylamino]methyl]benzoic acid
CID 138003731
2-methyl-3-[methyl(1-naphthalen-2-ylethyl)amino]propanoic acid
CID 65072356
3-[1-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 65071757
3-[1-(5-bromo-1-benzofuran-2-yl)ethyl-methylamino]-2-methylpropanoic acid
CID 65072256
(2R)-3-[cyclopropyl(furan-2-carbonyl)amino]-2-methylpropanoic acid
CID 95539585
2-methyl-3-[methyl-[1-[4-(trifluoromethyl)phenyl]ethyl]amino]propanoic acid
CID 65071606
3-[1-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl-methylamino]-2-methylpropanoic acid
CID 110838641
methyl 3-[[2-[1-(furan-2-yl)ethyl-methylamino]acetyl]amino]propanoate
CID 86866759
3-[benzoyl(furan-2-ylmethyl)amino]-2-methylpropanoic acid
CID 82324557

Frequently Asked Questions

What is the IUPAC name of 3-[1-(furan-2-yl)ethyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[1-(furan-2-yl)ethyl-methylamino]-2-methylpropanoic acid (CID 65067582) is 3-[1-(furan-2-yl)ethyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[1-(furan-2-yl)ethyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[1-(furan-2-yl)ethyl-methylamino]-2-methylpropanoic acid is CC(CN(C)C(C)c1ccco1)C(=O)O.
What is the InChIKey of 3-[1-(furan-2-yl)ethyl-methylamino]-2-methylpropanoic acid?
The InChIKey is CHOMUFPHUDPMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-8(11(13)14)7-12(3)9(2)10-5-4-6-15-10/h4-6,8-9H,7H2,1-3H3,(H,13,14).
What are the key properties of 3-[1-(furan-2-yl)ethyl-methylamino]-2-methylpropanoic acid?
3-[1-(furan-2-yl)ethyl-methylamino]-2-methylpropanoic acid has a molecular weight of 211.26 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(furan-2-yl)ethyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 65067582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).