2-amino-2-(2-ethylfuran-3-yl)acetic acid

C8H11NO3 — CID 55295015

IUPAC2-amino-2-(2-ethylfuran-3-yl)acetic acid
SMILESCCc1occc1C(N)C(=O)O
InChIInChI=1S/C8H11NO3/c1-2-6-5(3-4-12-6)7(9)8(10)11/h3-4,7H,2,9H2,1H3,(H,10,11)
InChIKeyXBSDRQPXMQCSTI-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.93
Rot. Bonds3

About 2-amino-2-(2-ethylfuran-3-yl)acetic acid

2-amino-2-(2-ethylfuran-3-yl)acetic acid (PubChem CID 55295015) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-amino-2-(2-ethylfuran-3-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(2-ethylfuran-3-yl)acetic acid
PubChem CID55295015
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name2-amino-2-(2-ethylfuran-3-yl)acetic acid
SMILESCCc1occc1C(N)C(=O)O
InChIInChI=1S/C8H11NO3/c1-2-6-5(3-4-12-6)7(9)8(10)11/h3-4,7H,2,9H2,1H3,(H,10,11)
InChIKeyXBSDRQPXMQCSTI-UHFFFAOYSA-N
XLogP0.93
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylfuran-3-yl)-3-oxopropanoic acid
CID 91245997
(1S)-1-(2-ethylfuran-3-yl)propan-1-amine
CID 55291890
2-amino-2-(2-pentan-3-ylphenyl)acetic acid
CID 83838407
(3S)-3-amino-3-(2-ethylfuran-3-yl)propanenitrile
CID 55292744
(2-ethylfuran-3-yl)-(2-propylpyrazol-3-yl)methanamine
CID 114104356
1-(2-ethylfuran-3-yl)-2-(2-fluorophenyl)ethanamine
CID 114103103
(2-ethylfuran-3-yl)-(4-methoxyphenyl)methanamine
CID 114102970
(2-ethyl-4-oxopyran-3-yl) 2-methylpropanoate
CID 71587819
(2-ethylfuran-3-yl)-(4-ethylphenyl)methanol
CID 114103668
(2S)-2-amino-2-(3-chloro-2-ethylphenyl)acetic acid
CID 130641092
(3,5-dimethylphenyl)-(2-ethylfuran-3-yl)methanol
CID 114104586
2-amino-2-(5-ethyl-2,3-difluorophenyl)acetic acid
CID 117306246

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-ethylfuran-3-yl)acetic acid?
The IUPAC name of 2-amino-2-(2-ethylfuran-3-yl)acetic acid (CID 55295015) is 2-amino-2-(2-ethylfuran-3-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(2-ethylfuran-3-yl)acetic acid?
The canonical SMILES for 2-amino-2-(2-ethylfuran-3-yl)acetic acid is CCc1occc1C(N)C(=O)O.
What is the InChIKey of 2-amino-2-(2-ethylfuran-3-yl)acetic acid?
The InChIKey is XBSDRQPXMQCSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-2-6-5(3-4-12-6)7(9)8(10)11/h3-4,7H,2,9H2,1H3,(H,10,11).
What are the key properties of 2-amino-2-(2-ethylfuran-3-yl)acetic acid?
2-amino-2-(2-ethylfuran-3-yl)acetic acid has a molecular weight of 169.18 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-ethylfuran-3-yl)acetic acid is sourced from PubChem (CID 55295015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).