4-[[(2S)-2-amino-3-hydroxypropanoyl]oxymethyl]furo[3,2-b]pyrrole-5-carboxylic acid

C11H12N2O6 — CID 44814948

IUPAC4-[[(2S)-2-amino-3-hydroxypropanoyl]oxymethyl]furo[3,2-b]pyrrole-5-carboxylic acid
SMILESN[C@@H](CO)C(=O)OCn1c(C(=O)O)cc2occc21
InChIInChI=1S/C11H12N2O6/c12-6(4-14)11(17)19-5-13-7-1-2-18-9(7)3-8(13)10(15)16/h1-3,6,14H,4-5,12H2,(H,15,16)/t6-/m0/s1
InChIKeyOIGYCIVTBDWVQB-LURJTMIESA-N
MW268.23 g/mol
LogP-0.25
Rot. Bonds5

About 4-[[(2S)-2-amino-3-hydroxypropanoyl]oxymethyl]furo[3,2-b]pyrrole-5-carboxylic acid

4-[[(2S)-2-amino-3-hydroxypropanoyl]oxymethyl]furo[3,2-b]pyrrole-5-carboxylic acid (PubChem CID 44814948) has the molecular formula C11H12N2O6 and a molecular weight of 268.23 g/mol. Its IUPAC name is 4-[[(2S)-2-amino-3-hydroxypropanoyl]oxymethyl]furo[3,2-b]pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name4-[[(2S)-2-amino-3-hydroxypropanoyl]oxymethyl]furo[3,2-b]pyrrole-5-carboxylic acid
PubChem CID44814948
Molecular FormulaC11H12N2O6
Molecular Weight268.23 g/mol
Exact Mass268.07
IUPAC Name4-[[(2S)-2-amino-3-hydroxypropanoyl]oxymethyl]furo[3,2-b]pyrrole-5-carboxylic acid
SMILESN[C@@H](CO)C(=O)OCn1c(C(=O)O)cc2occc21
InChIInChI=1S/C11H12N2O6/c12-6(4-14)11(17)19-5-13-7-1-2-18-9(7)3-8(13)10(15)16/h1-3,6,14H,4-5,12H2,(H,15,16)/t6-/m0/s1
InChIKeyOIGYCIVTBDWVQB-LURJTMIESA-N
XLogP-0.25
TPSA127.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-amino-3-hydroxypropanoyl]oxymethyl]furo[3,2-b]pyrrole-5-carboxylic acid?
The IUPAC name of 4-[[(2S)-2-amino-3-hydroxypropanoyl]oxymethyl]furo[3,2-b]pyrrole-5-carboxylic acid (CID 44814948) is 4-[[(2S)-2-amino-3-hydroxypropanoyl]oxymethyl]furo[3,2-b]pyrrole-5-carboxylic acid.
What is the SMILES notation for 4-[[(2S)-2-amino-3-hydroxypropanoyl]oxymethyl]furo[3,2-b]pyrrole-5-carboxylic acid?
The canonical SMILES for 4-[[(2S)-2-amino-3-hydroxypropanoyl]oxymethyl]furo[3,2-b]pyrrole-5-carboxylic acid is N[C@@H](CO)C(=O)OCn1c(C(=O)O)cc2occc21.
What is the InChIKey of 4-[[(2S)-2-amino-3-hydroxypropanoyl]oxymethyl]furo[3,2-b]pyrrole-5-carboxylic acid?
The InChIKey is OIGYCIVTBDWVQB-LURJTMIESA-N. The full InChI is InChI=1S/C11H12N2O6/c12-6(4-14)11(17)19-5-13-7-1-2-18-9(7)3-8(13)10(15)16/h1-3,6,14H,4-5,12H2,(H,15,16)/t6-/m0/s1.
What are the key properties of 4-[[(2S)-2-amino-3-hydroxypropanoyl]oxymethyl]furo[3,2-b]pyrrole-5-carboxylic acid?
4-[[(2S)-2-amino-3-hydroxypropanoyl]oxymethyl]furo[3,2-b]pyrrole-5-carboxylic acid has a molecular weight of 268.23 g/mol, XLogP of -0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-amino-3-hydroxypropanoyl]oxymethyl]furo[3,2-b]pyrrole-5-carboxylic acid is sourced from PubChem (CID 44814948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).