furan-2-yl (2S)-2-amino-3-hydroxypropanoate

C7H9NO4 — CID 90119498

IUPACfuran-2-yl (2S)-2-amino-3-hydroxypropanoate
SMILESN[C@@H](CO)C(=O)Oc1ccco1
InChIInChI=1S/C7H9NO4/c8-5(4-9)7(10)12-6-2-1-3-11-6/h1-3,5,9H,4,8H2/t5-/m0/s1
InChIKeyZRNUWHCTVTVJHE-YFKPBYRVSA-N
MW171.15 g/mol
LogP-0.50
Rot. Bonds3

About furan-2-yl (2S)-2-amino-3-hydroxypropanoate

furan-2-yl (2S)-2-amino-3-hydroxypropanoate (PubChem CID 90119498) has the molecular formula C7H9NO4 and a molecular weight of 171.15 g/mol. Its IUPAC name is furan-2-yl (2S)-2-amino-3-hydroxypropanoate.

Molecular Properties

Compound Namefuran-2-yl (2S)-2-amino-3-hydroxypropanoate
PubChem CID90119498
Molecular FormulaC7H9NO4
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Namefuran-2-yl (2S)-2-amino-3-hydroxypropanoate
SMILESN[C@@H](CO)C(=O)Oc1ccco1
InChIInChI=1S/C7H9NO4/c8-5(4-9)7(10)12-6-2-1-3-11-6/h1-3,5,9H,4,8H2/t5-/m0/s1
InChIKeyZRNUWHCTVTVJHE-YFKPBYRVSA-N
XLogP-0.50
TPSA85.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl (2S)-2-amino-3-hydroxypropanoate?
The IUPAC name of furan-2-yl (2S)-2-amino-3-hydroxypropanoate (CID 90119498) is furan-2-yl (2S)-2-amino-3-hydroxypropanoate.
What is the SMILES notation for furan-2-yl (2S)-2-amino-3-hydroxypropanoate?
The canonical SMILES for furan-2-yl (2S)-2-amino-3-hydroxypropanoate is N[C@@H](CO)C(=O)Oc1ccco1.
What is the InChIKey of furan-2-yl (2S)-2-amino-3-hydroxypropanoate?
The InChIKey is ZRNUWHCTVTVJHE-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H9NO4/c8-5(4-9)7(10)12-6-2-1-3-11-6/h1-3,5,9H,4,8H2/t5-/m0/s1.
What are the key properties of furan-2-yl (2S)-2-amino-3-hydroxypropanoate?
furan-2-yl (2S)-2-amino-3-hydroxypropanoate has a molecular weight of 171.15 g/mol, XLogP of -0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl (2S)-2-amino-3-hydroxypropanoate is sourced from PubChem (CID 90119498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).