2-[2-[(2-methoxy-2-methylpropyl)carbamoyl]pyrrol-1-yl]acetic acid

C12H18N2O4 — CID 104764740

IUPAC2-[2-[(2-methoxy-2-methylpropyl)carbamoyl]pyrrol-1-yl]acetic acid
SMILESCOC(C)(C)CNC(=O)c1cccn1CC(=O)O
InChIInChI=1S/C12H18N2O4/c1-12(2,18-3)8-13-11(17)9-5-4-6-14(9)7-10(15)16/h4-6H,7-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyUCPACJLJRVMDAQ-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.73
Rot. Bonds6

About 2-[2-[(2-methoxy-2-methylpropyl)carbamoyl]pyrrol-1-yl]acetic acid

2-[2-[(2-methoxy-2-methylpropyl)carbamoyl]pyrrol-1-yl]acetic acid (PubChem CID 104764740) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[2-[(2-methoxy-2-methylpropyl)carbamoyl]pyrrol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-methoxy-2-methylpropyl)carbamoyl]pyrrol-1-yl]acetic acid
PubChem CID104764740
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-[2-[(2-methoxy-2-methylpropyl)carbamoyl]pyrrol-1-yl]acetic acid
SMILESCOC(C)(C)CNC(=O)c1cccn1CC(=O)O
InChIInChI=1S/C12H18N2O4/c1-12(2,18-3)8-13-11(17)9-5-4-6-14(9)7-10(15)16/h4-6H,7-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyUCPACJLJRVMDAQ-UHFFFAOYSA-N
XLogP0.73
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methoxy-2-methylpropyl)carbamoyl]pyrrol-1-yl]acetic acid?
The IUPAC name of 2-[2-[(2-methoxy-2-methylpropyl)carbamoyl]pyrrol-1-yl]acetic acid (CID 104764740) is 2-[2-[(2-methoxy-2-methylpropyl)carbamoyl]pyrrol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[(2-methoxy-2-methylpropyl)carbamoyl]pyrrol-1-yl]acetic acid?
The canonical SMILES for 2-[2-[(2-methoxy-2-methylpropyl)carbamoyl]pyrrol-1-yl]acetic acid is COC(C)(C)CNC(=O)c1cccn1CC(=O)O.
What is the InChIKey of 2-[2-[(2-methoxy-2-methylpropyl)carbamoyl]pyrrol-1-yl]acetic acid?
The InChIKey is UCPACJLJRVMDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-12(2,18-3)8-13-11(17)9-5-4-6-14(9)7-10(15)16/h4-6H,7-8H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 2-[2-[(2-methoxy-2-methylpropyl)carbamoyl]pyrrol-1-yl]acetic acid?
2-[2-[(2-methoxy-2-methylpropyl)carbamoyl]pyrrol-1-yl]acetic acid has a molecular weight of 254.29 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methoxy-2-methylpropyl)carbamoyl]pyrrol-1-yl]acetic acid is sourced from PubChem (CID 104764740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).