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

C11H16N2O4 — CID 102700126

IUPAC2-[2-(2-methoxypropylcarbamoyl)pyrrol-1-yl]acetic acid
SMILESCOC(C)CNC(=O)c1cccn1CC(=O)O
InChIInChI=1S/C11H16N2O4/c1-8(17-2)6-12-11(16)9-4-3-5-13(9)7-10(14)15/h3-5,8H,6-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyRCRVSCRIOSJDCT-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.34
Rot. Bonds6

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

2-[2-(2-methoxypropylcarbamoyl)pyrrol-1-yl]acetic acid (PubChem CID 102700126) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[2-(2-methoxypropylcarbamoyl)pyrrol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-methoxypropylcarbamoyl)pyrrol-1-yl]acetic acid
PubChem CID102700126
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-[2-(2-methoxypropylcarbamoyl)pyrrol-1-yl]acetic acid
SMILESCOC(C)CNC(=O)c1cccn1CC(=O)O
InChIInChI=1S/C11H16N2O4/c1-8(17-2)6-12-11(16)9-4-3-5-13(9)7-10(14)15/h3-5,8H,6-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyRCRVSCRIOSJDCT-UHFFFAOYSA-N
XLogP0.34
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-methylbutylcarbamoyl)pyrrol-1-yl]acetic acid
CID 79330816
2-[2-[(2-methoxy-2-methylpropyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 104764740
2-methoxy-3-[(1-propylpyrrole-2-carbonyl)amino]propanoic acid
CID 106108154
2-[2-(1-ethoxypropan-2-ylcarbamoyl)pyrrol-1-yl]acetic acid
CID 79331225
2-[2-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]pyrrol-1-yl]acetic acid
CID 79322277
2-[2-[(3-amino-3-oxopropyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325586
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-[(1-ethylcyclobutyl)methylcarbamoyl]pyrrol-1-yl]acetic acid
CID 114109249
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
1-benzyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83029854

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxypropylcarbamoyl)pyrrol-1-yl]acetic acid?
The IUPAC name of 2-[2-(2-methoxypropylcarbamoyl)pyrrol-1-yl]acetic acid (CID 102700126) is 2-[2-(2-methoxypropylcarbamoyl)pyrrol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-methoxypropylcarbamoyl)pyrrol-1-yl]acetic acid?
The canonical SMILES for 2-[2-(2-methoxypropylcarbamoyl)pyrrol-1-yl]acetic acid is COC(C)CNC(=O)c1cccn1CC(=O)O.
What is the InChIKey of 2-[2-(2-methoxypropylcarbamoyl)pyrrol-1-yl]acetic acid?
The InChIKey is RCRVSCRIOSJDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-8(17-2)6-12-11(16)9-4-3-5-13(9)7-10(14)15/h3-5,8H,6-7H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 2-[2-(2-methoxypropylcarbamoyl)pyrrol-1-yl]acetic acid?
2-[2-(2-methoxypropylcarbamoyl)pyrrol-1-yl]acetic acid has a molecular weight of 240.26 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxypropylcarbamoyl)pyrrol-1-yl]acetic acid is sourced from PubChem (CID 102700126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).