(2,5-dihydroxypyrrol-1-yl) 2-amino-3-methylbutanoate

C9H14N2O4 — CID 123878658

IUPAC(2,5-dihydroxypyrrol-1-yl) 2-amino-3-methylbutanoate
SMILESCC(C)C(N)C(=O)On1c(O)ccc1O
InChIInChI=1S/C9H14N2O4/c1-5(2)8(10)9(14)15-11-6(12)3-4-7(11)13/h3-5,8,12-13H,10H2,1-2H3
InChIKeyOONHTLNENLXKHP-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.16
Rot. Bonds3

About (2,5-dihydroxypyrrol-1-yl) 2-amino-3-methylbutanoate

(2,5-dihydroxypyrrol-1-yl) 2-amino-3-methylbutanoate (PubChem CID 123878658) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 2-amino-3-methylbutanoate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 2-amino-3-methylbutanoate
PubChem CID123878658
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 2-amino-3-methylbutanoate
SMILESCC(C)C(N)C(=O)On1c(O)ccc1O
InChIInChI=1S/C9H14N2O4/c1-5(2)8(10)9(14)15-11-6(12)3-4-7(11)13/h3-5,8,12-13H,10H2,1-2H3
InChIKeyOONHTLNENLXKHP-UHFFFAOYSA-N
XLogP-0.16
TPSA97.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-amino-3-methylbutanoate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-amino-3-methylbutanoate (CID 123878658) is (2,5-dihydroxypyrrol-1-yl) 2-amino-3-methylbutanoate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 2-amino-3-methylbutanoate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 2-amino-3-methylbutanoate is CC(C)C(N)C(=O)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 2-amino-3-methylbutanoate?
The InChIKey is OONHTLNENLXKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-5(2)8(10)9(14)15-11-6(12)3-4-7(11)13/h3-5,8,12-13H,10H2,1-2H3.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 2-amino-3-methylbutanoate?
(2,5-dihydroxypyrrol-1-yl) 2-amino-3-methylbutanoate has a molecular weight of 214.22 g/mol, XLogP of -0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 2-amino-3-methylbutanoate is sourced from PubChem (CID 123878658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).