2-[2-(2-methylbutylcarbamoyl)pyrrol-1-yl]acetic acid

C12H18N2O3 — CID 79330816

IUPAC2-[2-(2-methylbutylcarbamoyl)pyrrol-1-yl]acetic acid
SMILESCCC(C)CNC(=O)c1cccn1CC(=O)O
InChIInChI=1S/C12H18N2O3/c1-3-9(2)7-13-12(17)10-5-4-6-14(10)8-11(15)16/h4-6,9H,3,7-8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeySQCGRCLVXKADBJ-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.35
Rot. Bonds6

About 2-[2-(2-methylbutylcarbamoyl)pyrrol-1-yl]acetic acid

2-[2-(2-methylbutylcarbamoyl)pyrrol-1-yl]acetic acid (PubChem CID 79330816) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[2-(2-methylbutylcarbamoyl)pyrrol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-methylbutylcarbamoyl)pyrrol-1-yl]acetic acid
PubChem CID79330816
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-[2-(2-methylbutylcarbamoyl)pyrrol-1-yl]acetic acid
SMILESCCC(C)CNC(=O)c1cccn1CC(=O)O
InChIInChI=1S/C12H18N2O3/c1-3-9(2)7-13-12(17)10-5-4-6-14(10)8-11(15)16/h4-6,9H,3,7-8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeySQCGRCLVXKADBJ-UHFFFAOYSA-N
XLogP1.35
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-methoxypropylcarbamoyl)pyrrol-1-yl]acetic acid
CID 102700126
2-[2-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]pyrrol-1-yl]acetic acid
CID 79322277
3-[(1-ethylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 62676590
2-[2-[[2-oxo-2-(propylamino)ethyl]carbamoyl]pyrrol-1-yl]acetic acid
CID 79324939
2-[2-[(2-methoxy-2-methylpropyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 104764740
2-[2-(3-ethylsulfanylpropylcarbamoyl)pyrrol-1-yl]acetic acid
CID 114248465
2-[2-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]pyrrol-1-yl]acetic acid
CID 114134247
2-[2-(1-ethoxypropan-2-ylcarbamoyl)pyrrol-1-yl]acetic acid
CID 79331225
2-[2-[(3-amino-3-oxopropyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325586
2-[2-[2-(ethylsulfamoyl)ethylcarbamoyl]pyrrol-1-yl]acetic acid
CID 106341844
2-[2-[(1-ethylcyclobutyl)methylcarbamoyl]pyrrol-1-yl]acetic acid
CID 114109249
2-[2-[(4-ethylphenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325005

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylbutylcarbamoyl)pyrrol-1-yl]acetic acid?
The IUPAC name of 2-[2-(2-methylbutylcarbamoyl)pyrrol-1-yl]acetic acid (CID 79330816) is 2-[2-(2-methylbutylcarbamoyl)pyrrol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-methylbutylcarbamoyl)pyrrol-1-yl]acetic acid?
The canonical SMILES for 2-[2-(2-methylbutylcarbamoyl)pyrrol-1-yl]acetic acid is CCC(C)CNC(=O)c1cccn1CC(=O)O.
What is the InChIKey of 2-[2-(2-methylbutylcarbamoyl)pyrrol-1-yl]acetic acid?
The InChIKey is SQCGRCLVXKADBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-9(2)7-13-12(17)10-5-4-6-14(10)8-11(15)16/h4-6,9H,3,7-8H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 2-[2-(2-methylbutylcarbamoyl)pyrrol-1-yl]acetic acid?
2-[2-(2-methylbutylcarbamoyl)pyrrol-1-yl]acetic acid has a molecular weight of 238.29 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylbutylcarbamoyl)pyrrol-1-yl]acetic acid is sourced from PubChem (CID 79330816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).