(2,5-dihydroxypyrrol-1-yl) 4-(aminomethoxy)-2-methylbutanoate

C10H16N2O5 — CID 90970176

IUPAC(2,5-dihydroxypyrrol-1-yl) 4-(aminomethoxy)-2-methylbutanoate
SMILESCC(CCOCN)C(=O)On1c(O)ccc1O
InChIInChI=1S/C10H16N2O5/c1-7(4-5-16-6-11)10(15)17-12-8(13)2-3-9(12)14/h2-3,7,13-14H,4-6,11H2,1H3
InChIKeyRTLDKEXVANIEPH-UHFFFAOYSA-N
MW244.25 g/mol
LogP-0.19
Rot. Bonds6

About (2,5-dihydroxypyrrol-1-yl) 4-(aminomethoxy)-2-methylbutanoate

(2,5-dihydroxypyrrol-1-yl) 4-(aminomethoxy)-2-methylbutanoate (PubChem CID 90970176) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 4-(aminomethoxy)-2-methylbutanoate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 4-(aminomethoxy)-2-methylbutanoate
PubChem CID90970176
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 4-(aminomethoxy)-2-methylbutanoate
SMILESCC(CCOCN)C(=O)On1c(O)ccc1O
InChIInChI=1S/C10H16N2O5/c1-7(4-5-16-6-11)10(15)17-12-8(13)2-3-9(12)14/h2-3,7,13-14H,4-6,11H2,1H3
InChIKeyRTLDKEXVANIEPH-UHFFFAOYSA-N
XLogP-0.19
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 4-(aminomethoxy)-2-methylbutanoate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 4-(aminomethoxy)-2-methylbutanoate (CID 90970176) is (2,5-dihydroxypyrrol-1-yl) 4-(aminomethoxy)-2-methylbutanoate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 4-(aminomethoxy)-2-methylbutanoate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 4-(aminomethoxy)-2-methylbutanoate is CC(CCOCN)C(=O)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 4-(aminomethoxy)-2-methylbutanoate?
The InChIKey is RTLDKEXVANIEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5/c1-7(4-5-16-6-11)10(15)17-12-8(13)2-3-9(12)14/h2-3,7,13-14H,4-6,11H2,1H3.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 4-(aminomethoxy)-2-methylbutanoate?
(2,5-dihydroxypyrrol-1-yl) 4-(aminomethoxy)-2-methylbutanoate has a molecular weight of 244.25 g/mol, XLogP of -0.19, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 4-(aminomethoxy)-2-methylbutanoate is sourced from PubChem (CID 90970176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).