1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid

C11H16N2O4 — CID 2735636

IUPAC1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid
SMILESCn1cc(NC(=O)OC(C)(C)C)cc1C(=O)O
InChIInChI=1S/C11H16N2O4/c1-11(2,3)17-10(16)12-7-5-8(9(14)15)13(4)6-7/h5-6H,1-4H3,(H,12,16)(H,14,15)
InChIKeyGOLAEMFBWAIGRX-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.07
Rot. Bonds2

About 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid

1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid (PubChem CID 2735636) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid
PubChem CID2735636
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid
SMILESCn1cc(NC(=O)OC(C)(C)C)cc1C(=O)O
InChIInChI=1S/C11H16N2O4/c1-11(2,3)17-10(16)12-7-5-8(9(14)15)13(4)6-7/h5-6H,1-4H3,(H,12,16)(H,14,15)
InChIKeyGOLAEMFBWAIGRX-UHFFFAOYSA-N
XLogP2.07
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-4-nitropyrrole-2-carboxylic acid
CID 2736915
4-Amino-5-acetamidopyridine-2-carboxylic acid
CID 5278296
methyl 4-amino-1-methyl-1H-pyrrole-2-carboxylate hydrochloride
CID 2794656
4-Amino-1-methyl-1H-pyrrole-2-carboxylic acid
CID 3330245
1-Methyl-4-(1-methyl-4-nitropyrrole-2-carboxamido)pyrrole-2-carboxylic acid
CID 404110
Methyl 4-amino-1-methyl-1H-pyrrole-2-carboxylate
CID 2794657
4-[[4-(Methoxycarbonylamino)-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylic acid
CID 23541315
Ethyl 4-acetamido-1-methylpyrrole-2-carboxylate
CID 332143
5-{[(Tert-butoxy)carbonyl]amino}pyridine-2-carboxylic acid
CID 28875521
4-(((Tert-butoxy)carbonyl)amino)pyridine-2-carboxylic acid
CID 49760372
1-(2-(tert-butoxy)-2-oxoethyl)-1H-pyrrole-2-carboxylic acid
CID 69239964
4-amino-1-methyl-1H-pyrrole-2-carboxylic acid hydrochloride
CID 69970889

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid?
The IUPAC name of 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid (CID 2735636) is 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid is Cn1cc(NC(=O)OC(C)(C)C)cc1C(=O)O.
What is the InChIKey of 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid?
The InChIKey is GOLAEMFBWAIGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-11(2,3)17-10(16)12-7-5-8(9(14)15)13(4)6-7/h5-6H,1-4H3,(H,12,16)(H,14,15).
What are the key properties of 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid?
1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid is sourced from PubChem (CID 2735636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).