(2S)-3-(furan-3-yl)-2-(methylamino)propanoic acid

C8H11NO3 — CID 123505246

IUPAC(2S)-3-(furan-3-yl)-2-(methylamino)propanoic acid
SMILESCN[C@@H](Cc1ccoc1)C(=O)O
InChIInChI=1S/C8H11NO3/c1-9-7(8(10)11)4-6-2-3-12-5-6/h2-3,5,7,9H,4H2,1H3,(H,10,11)/t7-/m0/s1
InChIKeyRWVKWSDYXPMACP-ZETCQYMHSA-N
MW169.18 g/mol
LogP0.49
Rot. Bonds4

About (2S)-3-(furan-3-yl)-2-(methylamino)propanoic acid

(2S)-3-(furan-3-yl)-2-(methylamino)propanoic acid (PubChem CID 123505246) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is (2S)-3-(furan-3-yl)-2-(methylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-3-(furan-3-yl)-2-(methylamino)propanoic acid
PubChem CID123505246
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name(2S)-3-(furan-3-yl)-2-(methylamino)propanoic acid
SMILESCN[C@@H](Cc1ccoc1)C(=O)O
InChIInChI=1S/C8H11NO3/c1-9-7(8(10)11)4-6-2-3-12-5-6/h2-3,5,7,9H,4H2,1H3,(H,10,11)/t7-/m0/s1
InChIKeyRWVKWSDYXPMACP-ZETCQYMHSA-N
XLogP0.49
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(furan-3-yl)-2-(methylamino)propanoic acid?
The IUPAC name of (2S)-3-(furan-3-yl)-2-(methylamino)propanoic acid (CID 123505246) is (2S)-3-(furan-3-yl)-2-(methylamino)propanoic acid.
What is the SMILES notation for (2S)-3-(furan-3-yl)-2-(methylamino)propanoic acid?
The canonical SMILES for (2S)-3-(furan-3-yl)-2-(methylamino)propanoic acid is CN[C@@H](Cc1ccoc1)C(=O)O.
What is the InChIKey of (2S)-3-(furan-3-yl)-2-(methylamino)propanoic acid?
The InChIKey is RWVKWSDYXPMACP-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H11NO3/c1-9-7(8(10)11)4-6-2-3-12-5-6/h2-3,5,7,9H,4H2,1H3,(H,10,11)/t7-/m0/s1.
What are the key properties of (2S)-3-(furan-3-yl)-2-(methylamino)propanoic acid?
(2S)-3-(furan-3-yl)-2-(methylamino)propanoic acid has a molecular weight of 169.18 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(furan-3-yl)-2-(methylamino)propanoic acid is sourced from PubChem (CID 123505246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).