1-[2-[(2-methyloxolan-3-yl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid

C13H18N2O4 — CID 114106805

IUPAC1-[2-[(2-methyloxolan-3-yl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
SMILESCC1OCCC1CNC(=O)Cn1cccc1C(=O)O
InChIInChI=1S/C13H18N2O4/c1-9-10(4-6-19-9)7-14-12(16)8-15-5-2-3-11(15)13(17)18/h2-3,5,9-10H,4,6-8H2,1H3,(H,14,16)(H,17,18)
InChIKeyFZQAUEFLHODTGM-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.73
Rot. Bonds5

About 1-[2-[(2-methyloxolan-3-yl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid

1-[2-[(2-methyloxolan-3-yl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid (PubChem CID 114106805) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[2-[(2-methyloxolan-3-yl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2-methyloxolan-3-yl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
PubChem CID114106805
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name1-[2-[(2-methyloxolan-3-yl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
SMILESCC1OCCC1CNC(=O)Cn1cccc1C(=O)O
InChIInChI=1S/C13H18N2O4/c1-9-10(4-6-19-9)7-14-12(16)8-15-5-2-3-11(15)13(17)18/h2-3,5,9-10H,4,6-8H2,1H3,(H,14,16)(H,17,18)
InChIKeyFZQAUEFLHODTGM-UHFFFAOYSA-N
XLogP0.73
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methyloxolan-3-yl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-[2-[(2-methyloxolan-3-yl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid (CID 114106805) is 1-[2-[(2-methyloxolan-3-yl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-[2-[(2-methyloxolan-3-yl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-[2-[(2-methyloxolan-3-yl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid is CC1OCCC1CNC(=O)Cn1cccc1C(=O)O.
What is the InChIKey of 1-[2-[(2-methyloxolan-3-yl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid?
The InChIKey is FZQAUEFLHODTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9-10(4-6-19-9)7-14-12(16)8-15-5-2-3-11(15)13(17)18/h2-3,5,9-10H,4,6-8H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 1-[2-[(2-methyloxolan-3-yl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid?
1-[2-[(2-methyloxolan-3-yl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methyloxolan-3-yl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 114106805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).