2-(furan-3-ylmethylamino)acetic acid

C7H9NO3 — CID 63204531

IUPAC2-(furan-3-ylmethylamino)acetic acid
SMILESO=C(O)CNCc1ccoc1
InChIInChI=1S/C7H9NO3/c9-7(10)4-8-3-6-1-2-11-5-6/h1-2,5,8H,3-4H2,(H,9,10)
InChIKeyBDVKKHNSWCKQAL-UHFFFAOYSA-N
MW155.15 g/mol
LogP0.45
Rot. Bonds4

About 2-(furan-3-ylmethylamino)acetic acid

2-(furan-3-ylmethylamino)acetic acid (PubChem CID 63204531) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 2-(furan-3-ylmethylamino)acetic acid.

Molecular Properties

Compound Name2-(furan-3-ylmethylamino)acetic acid
PubChem CID63204531
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name2-(furan-3-ylmethylamino)acetic acid
SMILESO=C(O)CNCc1ccoc1
InChIInChI=1S/C7H9NO3/c9-7(10)4-8-3-6-1-2-11-5-6/h1-2,5,8H,3-4H2,(H,9,10)
InChIKeyBDVKKHNSWCKQAL-UHFFFAOYSA-N
XLogP0.45
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
2-(furan-3-ylmethylamino)-1-morpholin-4-ylethanone
CID 115909590
4-[(furan-3-ylmethylamino)methyl]benzamide
CID 47272463
3,3,3-trifluoro-2-[(furan-3-ylmethylamino)methyl]propanoic acid
CID 103267898
3-(furan-3-ylmethylamino)-N-methylpropanamide
CID 63204466
2-(furan-3-ylmethylamino)-2-methylpropanoic acid
CID 83171452
4-(furan-3-ylmethylamino)-N-methylbutanamide
CID 115607627
4-[2-(furan-3-ylmethylamino)ethoxy]benzoic acid
CID 103267862
(2S)-2-(furan-3-ylmethylcarbamoylamino)butanedioic acid
CID 104874115
1-(furan-3-yl)-N-methylmethanamine;molecular hydrogen
CID 156853775
N-(furan-3-ylmethyl)-1-(4-methylphenyl)methanamine
CID 60980930
(2S)-3-(furan-3-ylmethylamino)propane-1,2-diol
CID 104874092

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-ylmethylamino)acetic acid?
The IUPAC name of 2-(furan-3-ylmethylamino)acetic acid (CID 63204531) is 2-(furan-3-ylmethylamino)acetic acid.
What is the SMILES notation for 2-(furan-3-ylmethylamino)acetic acid?
The canonical SMILES for 2-(furan-3-ylmethylamino)acetic acid is O=C(O)CNCc1ccoc1.
What is the InChIKey of 2-(furan-3-ylmethylamino)acetic acid?
The InChIKey is BDVKKHNSWCKQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c9-7(10)4-8-3-6-1-2-11-5-6/h1-2,5,8H,3-4H2,(H,9,10).
What are the key properties of 2-(furan-3-ylmethylamino)acetic acid?
2-(furan-3-ylmethylamino)acetic acid has a molecular weight of 155.15 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-ylmethylamino)acetic acid is sourced from PubChem (CID 63204531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).