2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]acetic acid

C13H18N2O4 — CID 84807873

IUPAC2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1Cc2cc(CC(=O)O)[nH]c2C1
InChIInChI=1S/C13H18N2O4/c1-13(2,3)19-12(18)15-6-8-4-9(5-11(16)17)14-10(8)7-15/h4,14H,5-7H2,1-3H3,(H,16,17)
InChIKeyOVLWMFRNZOYECE-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.89
Rot. Bonds2

About 2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]acetic acid

2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]acetic acid (PubChem CID 84807873) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]acetic acid
PubChem CID84807873
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1Cc2cc(CC(=O)O)[nH]c2C1
InChIInChI=1S/C13H18N2O4/c1-13(2,3)19-12(18)15-6-8-4-9(5-11(16)17)14-10(8)7-15/h4,14H,5-7H2,1-3H3,(H,16,17)
InChIKeyOVLWMFRNZOYECE-UHFFFAOYSA-N
XLogP1.89
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]acetic acid with MolForge

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Related Compounds

5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6,7,8-tetrahydro-1H-pyrrolo[3,2-c]azepine-2-carboxylic acid
CID 155970550
2-[6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-2-yl]acetic acid
CID 84812091
tert-butyl 3-bromo-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-6-carboxylate
CID 59756831
2-O-tert-butyl 5-O,6-O-dimethyl 1,3-dihydroisoindole-2,5,6-tricarboxylate
CID 154730420
tert-butyl 3-(aminomethyl)-2-tert-butyl-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrole-5-carboxylate
CID 84815160
tert-butyl 5-fluoro-6-isocyano-1,3-dihydroisoindole-2-carboxylate
CID 123535754
2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroisoindol-5-yl]-2-oxoacetic acid
CID 135388079
5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylic acid
CID 82379362
tert-butyl 5-(sulfanylmethyl)-1,3-dihydroisoindole-2-carboxylate
CID 129155247
tert-butyl 5-propanoyl-1,3-dihydroisoindole-2-carboxylate
CID 154559806
tert-butyl 6-ethyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate
CID 163817292
2-[7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydropyrrolo[3,4-g][1,2]benzoxazol-3-yl]acetic acid
CID 170005047

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]acetic acid?
The IUPAC name of 2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]acetic acid (CID 84807873) is 2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]acetic acid?
The canonical SMILES for 2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]acetic acid is CC(C)(C)OC(=O)N1Cc2cc(CC(=O)O)[nH]c2C1.
What is the InChIKey of 2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]acetic acid?
The InChIKey is OVLWMFRNZOYECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-13(2,3)19-12(18)15-6-8-4-9(5-11(16)17)14-10(8)7-15/h4,14H,5-7H2,1-3H3,(H,16,17).
What are the key properties of 2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]acetic acid?
2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]acetic acid has a molecular weight of 266.30 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-2-yl]acetic acid is sourced from PubChem (CID 84807873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).