5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1H-pyrrole-2-carboxylic acid

C11H16N2O4 — CID 69299589

IUPAC5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1H-pyrrole-2-carboxylic acid
SMILESCC(C)(C)OC(=O)CNc1ccc(C(=O)O)[nH]1
InChIInChI=1S/C11H16N2O4/c1-11(2,3)17-9(14)6-12-8-5-4-7(13-8)10(15)16/h4-5,12-13H,6H2,1-3H3,(H,15,16)
InChIKeyTWVAWBIJELDHQC-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.47
Rot. Bonds4

About 5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1H-pyrrole-2-carboxylic acid

5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1H-pyrrole-2-carboxylic acid (PubChem CID 69299589) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1H-pyrrole-2-carboxylic acid
PubChem CID69299589
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1H-pyrrole-2-carboxylic acid
SMILESCC(C)(C)OC(=O)CNc1ccc(C(=O)O)[nH]1
InChIInChI=1S/C11H16N2O4/c1-11(2,3)17-9(14)6-12-8-5-4-7(13-8)10(15)16/h4-5,12-13H,6H2,1-3H3,(H,15,16)
InChIKeyTWVAWBIJELDHQC-UHFFFAOYSA-N
XLogP1.47
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1H-pyrrole-2-carboxylic acid
CID 141214827
tert-butyl 2-[(5-bromo-2-pyridinyl)amino]acetate
CID 54591947
tert-butyl 2-[(6-methyl-3-pyridinyl)amino]acetate
CID 148647674
2-[4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]acetic acid
CID 69115403
tert-butyl 2-[[(2R)-2-amino-2-phenylacetyl]amino]acetate
CID 67006160
4-[2-methyl-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propyl]benzoic acid
CID 66627623
tert-butyl 2-(3-chloro-2-methylanilino)acetate
CID 60679121
tert-butyl 2-(thiophen-2-ylamino)acetate
CID 57324703
tert-butyl 2-[4-(dimethylamino)anilino]acetate
CID 19001978
tert-butyl 2-(2-anilinoethylamino)acetate
CID 69347294
tert-butyl 2-[(2-chlorobenzoyl)amino]acetate
CID 78966461
tert-butyl 2-(4-bromo-2,6-difluoroanilino)acetate
CID 65467828

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1H-pyrrole-2-carboxylic acid (CID 69299589) is 5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1H-pyrrole-2-carboxylic acid is CC(C)(C)OC(=O)CNc1ccc(C(=O)O)[nH]1.
What is the InChIKey of 5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1H-pyrrole-2-carboxylic acid?
The InChIKey is TWVAWBIJELDHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-11(2,3)17-9(14)6-12-8-5-4-7(13-8)10(15)16/h4-5,12-13H,6H2,1-3H3,(H,15,16).
What are the key properties of 5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1H-pyrrole-2-carboxylic acid?
5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1H-pyrrole-2-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 69299589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).