4-[2-[(2R)-2-amino-3-methylbutanoyl]oxyethoxymethyl]furo[3,2-b]pyrrole-5-carboxylic acid

C15H20N2O6 — CID 58134110

IUPAC4-[2-[(2R)-2-amino-3-methylbutanoyl]oxyethoxymethyl]furo[3,2-b]pyrrole-5-carboxylic acid
SMILESCC(C)[C@@H](N)C(=O)OCCOCn1c(C(=O)O)cc2occc21
InChIInChI=1S/C15H20N2O6/c1-9(2)13(16)15(20)23-6-5-21-8-17-10-3-4-22-12(10)7-11(17)14(18)19/h3-4,7,9,13H,5-6,8,16H2,1-2H3,(H,18,19)/t13-/m1/s1
InChIKeyRHNQVOKTNRLUDI-CYBMUJFWSA-N
MW324.33 g/mol
LogP1.43
Rot. Bonds8

About 4-[2-[(2R)-2-amino-3-methylbutanoyl]oxyethoxymethyl]furo[3,2-b]pyrrole-5-carboxylic acid

4-[2-[(2R)-2-amino-3-methylbutanoyl]oxyethoxymethyl]furo[3,2-b]pyrrole-5-carboxylic acid (PubChem CID 58134110) has the molecular formula C15H20N2O6 and a molecular weight of 324.33 g/mol. Its IUPAC name is 4-[2-[(2R)-2-amino-3-methylbutanoyl]oxyethoxymethyl]furo[3,2-b]pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name4-[2-[(2R)-2-amino-3-methylbutanoyl]oxyethoxymethyl]furo[3,2-b]pyrrole-5-carboxylic acid
PubChem CID58134110
Molecular FormulaC15H20N2O6
Molecular Weight324.33 g/mol
Exact Mass324.13
IUPAC Name4-[2-[(2R)-2-amino-3-methylbutanoyl]oxyethoxymethyl]furo[3,2-b]pyrrole-5-carboxylic acid
SMILESCC(C)[C@@H](N)C(=O)OCCOCn1c(C(=O)O)cc2occc21
InChIInChI=1S/C15H20N2O6/c1-9(2)13(16)15(20)23-6-5-21-8-17-10-3-4-22-12(10)7-11(17)14(18)19/h3-4,7,9,13H,5-6,8,16H2,1-2H3,(H,18,19)/t13-/m1/s1
InChIKeyRHNQVOKTNRLUDI-CYBMUJFWSA-N
XLogP1.43
TPSA116.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2R)-2-amino-3-methylbutanoyl]oxyethoxymethyl]furo[3,2-b]pyrrole-5-carboxylic acid?
The IUPAC name of 4-[2-[(2R)-2-amino-3-methylbutanoyl]oxyethoxymethyl]furo[3,2-b]pyrrole-5-carboxylic acid (CID 58134110) is 4-[2-[(2R)-2-amino-3-methylbutanoyl]oxyethoxymethyl]furo[3,2-b]pyrrole-5-carboxylic acid.
What is the SMILES notation for 4-[2-[(2R)-2-amino-3-methylbutanoyl]oxyethoxymethyl]furo[3,2-b]pyrrole-5-carboxylic acid?
The canonical SMILES for 4-[2-[(2R)-2-amino-3-methylbutanoyl]oxyethoxymethyl]furo[3,2-b]pyrrole-5-carboxylic acid is CC(C)[C@@H](N)C(=O)OCCOCn1c(C(=O)O)cc2occc21.
What is the InChIKey of 4-[2-[(2R)-2-amino-3-methylbutanoyl]oxyethoxymethyl]furo[3,2-b]pyrrole-5-carboxylic acid?
The InChIKey is RHNQVOKTNRLUDI-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N2O6/c1-9(2)13(16)15(20)23-6-5-21-8-17-10-3-4-22-12(10)7-11(17)14(18)19/h3-4,7,9,13H,5-6,8,16H2,1-2H3,(H,18,19)/t13-/m1/s1.
What are the key properties of 4-[2-[(2R)-2-amino-3-methylbutanoyl]oxyethoxymethyl]furo[3,2-b]pyrrole-5-carboxylic acid?
4-[2-[(2R)-2-amino-3-methylbutanoyl]oxyethoxymethyl]furo[3,2-b]pyrrole-5-carboxylic acid has a molecular weight of 324.33 g/mol, XLogP of 1.43, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2R)-2-amino-3-methylbutanoyl]oxyethoxymethyl]furo[3,2-b]pyrrole-5-carboxylic acid is sourced from PubChem (CID 58134110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).