(2S)-2-aminobutanedioic acid;furan-2-ol

C8H11NO6 — CID 90119467

IUPAC(2S)-2-aminobutanedioic acid;furan-2-ol
SMILESN[C@@H](CC(=O)O)C(=O)O.Oc1ccco1
InChIInChI=1S/C4H7NO4.C4H4O2/c5-2(4(8)9)1-3(6)7;5-4-2-1-3-6-4/h2H,1,5H2,(H,6,7)(H,8,9);1-3,5H/t2-;/m0./s1
InChIKeyAEHXXEPVOBUCDU-DKWTVANSSA-N
MW217.18 g/mol
LogP-0.14
Rot. Bonds3

About (2S)-2-aminobutanedioic acid;furan-2-ol

(2S)-2-aminobutanedioic acid;furan-2-ol (PubChem CID 90119467) has the molecular formula C8H11NO6 and a molecular weight of 217.18 g/mol. Its IUPAC name is (2S)-2-aminobutanedioic acid;furan-2-ol.

Molecular Properties

Compound Name(2S)-2-aminobutanedioic acid;furan-2-ol
PubChem CID90119467
Molecular FormulaC8H11NO6
Molecular Weight217.18 g/mol
Exact Mass217.06
IUPAC Name(2S)-2-aminobutanedioic acid;furan-2-ol
SMILESN[C@@H](CC(=O)O)C(=O)O.Oc1ccco1
InChIInChI=1S/C4H7NO4.C4H4O2/c5-2(4(8)9)1-3(6)7;5-4-2-1-3-6-4/h2H,1,5H2,(H,6,7)(H,8,9);1-3,5H/t2-;/m0./s1
InChIKeyAEHXXEPVOBUCDU-DKWTVANSSA-N
XLogP-0.14
TPSA133.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 5-0.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminobutanedioic acid;furan-2-ol?
The IUPAC name of (2S)-2-aminobutanedioic acid;furan-2-ol (CID 90119467) is (2S)-2-aminobutanedioic acid;furan-2-ol.
What is the SMILES notation for (2S)-2-aminobutanedioic acid;furan-2-ol?
The canonical SMILES for (2S)-2-aminobutanedioic acid;furan-2-ol is N[C@@H](CC(=O)O)C(=O)O.Oc1ccco1.
What is the InChIKey of (2S)-2-aminobutanedioic acid;furan-2-ol?
The InChIKey is AEHXXEPVOBUCDU-DKWTVANSSA-N. The full InChI is InChI=1S/C4H7NO4.C4H4O2/c5-2(4(8)9)1-3(6)7;5-4-2-1-3-6-4/h2H,1,5H2,(H,6,7)(H,8,9);1-3,5H/t2-;/m0./s1.
What are the key properties of (2S)-2-aminobutanedioic acid;furan-2-ol?
(2S)-2-aminobutanedioic acid;furan-2-ol has a molecular weight of 217.18 g/mol, XLogP of -0.14, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminobutanedioic acid;furan-2-ol is sourced from PubChem (CID 90119467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).