2-[1-(furan-2-yl)ethylamino]-2-methylpropanoic acid

C10H15NO3 — CID 82238331

IUPAC2-[1-(furan-2-yl)ethylamino]-2-methylpropanoic acid
SMILESCC(NC(C)(C)C(=O)O)c1ccco1
InChIInChI=1S/C10H15NO3/c1-7(8-5-4-6-14-8)11-10(2,3)9(12)13/h4-7,11H,1-3H3,(H,12,13)
InChIKeyFTDDCXWPPXQIQL-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.79
Rot. Bonds4

About 2-[1-(furan-2-yl)ethylamino]-2-methylpropanoic acid

2-[1-(furan-2-yl)ethylamino]-2-methylpropanoic acid (PubChem CID 82238331) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-[1-(furan-2-yl)ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[1-(furan-2-yl)ethylamino]-2-methylpropanoic acid
PubChem CID82238331
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-[1-(furan-2-yl)ethylamino]-2-methylpropanoic acid
SMILESCC(NC(C)(C)C(=O)O)c1ccco1
InChIInChI=1S/C10H15NO3/c1-7(8-5-4-6-14-8)11-10(2,3)9(12)13/h4-7,11H,1-3H3,(H,12,13)
InChIKeyFTDDCXWPPXQIQL-UHFFFAOYSA-N
XLogP1.79
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 104644855
2-(ethylamino)-N-[(1R)-1-(furan-2-yl)ethyl]-2-methylpropanamide
CID 81400808
3-[1-(furan-2-yl)ethylcarbamoylamino]-2,2-dimethylpropanoic acid
CID 115428423
N-[1-(furan-2-yl)ethyl]acetamide
CID 22460009
2,2-difluoro-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 103515903
N-tert-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide
CID 81401281
(3S)-3-amino-3-(furan-2-yl)-2,2-dimethylpropanoic acid
CID 55292739
2-amino-N-[1-(furan-2-yl)ethyl]-2-phenylpropanamide
CID 55078587
3-chloro-N-[(1S)-1-(furan-2-yl)ethyl]-2,2-dimethylpropanamide
CID 81400085
2-cyclopropyl-2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic acid
CID 61197563
N-[1-(furan-2-yl)ethyl]-3-hydroxy-3-phenylbutanamide
CID 110024356
N-[(1S)-1-(furan-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103940583

Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-yl)ethylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[1-(furan-2-yl)ethylamino]-2-methylpropanoic acid (CID 82238331) is 2-[1-(furan-2-yl)ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[1-(furan-2-yl)ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[1-(furan-2-yl)ethylamino]-2-methylpropanoic acid is CC(NC(C)(C)C(=O)O)c1ccco1.
What is the InChIKey of 2-[1-(furan-2-yl)ethylamino]-2-methylpropanoic acid?
The InChIKey is FTDDCXWPPXQIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7(8-5-4-6-14-8)11-10(2,3)9(12)13/h4-7,11H,1-3H3,(H,12,13).
What are the key properties of 2-[1-(furan-2-yl)ethylamino]-2-methylpropanoic acid?
2-[1-(furan-2-yl)ethylamino]-2-methylpropanoic acid has a molecular weight of 197.23 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-2-yl)ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 82238331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).