2-[2-[(1-ethylcyclobutyl)methylcarbamoyl]pyrrol-1-yl]acetic acid

C14H20N2O3 — CID 114109249

IUPAC2-[2-[(1-ethylcyclobutyl)methylcarbamoyl]pyrrol-1-yl]acetic acid
SMILESCCC1(CNC(=O)c2cccn2CC(=O)O)CCC1
InChIInChI=1S/C14H20N2O3/c1-2-14(6-4-7-14)10-15-13(19)11-5-3-8-16(11)9-12(17)18/h3,5,8H,2,4,6-7,9-10H2,1H3,(H,15,19)(H,17,18)
InChIKeyTVJNUIMCXNTLSQ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.88
Rot. Bonds6

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

2-[2-[(1-ethylcyclobutyl)methylcarbamoyl]pyrrol-1-yl]acetic acid (PubChem CID 114109249) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[2-[(1-ethylcyclobutyl)methylcarbamoyl]pyrrol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(1-ethylcyclobutyl)methylcarbamoyl]pyrrol-1-yl]acetic acid
PubChem CID114109249
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[2-[(1-ethylcyclobutyl)methylcarbamoyl]pyrrol-1-yl]acetic acid
SMILESCCC1(CNC(=O)c2cccn2CC(=O)O)CCC1
InChIInChI=1S/C14H20N2O3/c1-2-14(6-4-7-14)10-15-13(19)11-5-3-8-16(11)9-12(17)18/h3,5,8H,2,4,6-7,9-10H2,1H3,(H,15,19)(H,17,18)
InChIKeyTVJNUIMCXNTLSQ-UHFFFAOYSA-N
XLogP1.88
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-propylpyrrole-2-carboxamide
CID 103968979
2-[2-[[2-oxo-2-(propylamino)ethyl]carbamoyl]pyrrol-1-yl]acetic acid
CID 79324939
2-[2-[(3-methoxyoxolan-3-yl)methylcarbamoyl]pyrrol-1-yl]acetic acid
CID 104764761
2-[2-(2-methylbutylcarbamoyl)pyrrol-1-yl]acetic acid
CID 79330816
2-[2-(2-methoxypropylcarbamoyl)pyrrol-1-yl]acetic acid
CID 102700126
(2S)-N-[(1-ethylcyclobutyl)methyl]-2-hydroxy-2-phenylacetamide
CID 167798849
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-[[(1-propylpyrrole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449375
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 115869201
2-[2-(piperidin-1-ylcarbamoyl)pyrrol-1-yl]acetic acid
CID 83022515
2-[2-[(3-amino-3-oxopropyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325586

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-ethylcyclobutyl)methylcarbamoyl]pyrrol-1-yl]acetic acid?
The IUPAC name of 2-[2-[(1-ethylcyclobutyl)methylcarbamoyl]pyrrol-1-yl]acetic acid (CID 114109249) is 2-[2-[(1-ethylcyclobutyl)methylcarbamoyl]pyrrol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-[(1-ethylcyclobutyl)methylcarbamoyl]pyrrol-1-yl]acetic acid?
The canonical SMILES for 2-[2-[(1-ethylcyclobutyl)methylcarbamoyl]pyrrol-1-yl]acetic acid is CCC1(CNC(=O)c2cccn2CC(=O)O)CCC1.
What is the InChIKey of 2-[2-[(1-ethylcyclobutyl)methylcarbamoyl]pyrrol-1-yl]acetic acid?
The InChIKey is TVJNUIMCXNTLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-14(6-4-7-14)10-15-13(19)11-5-3-8-16(11)9-12(17)18/h3,5,8H,2,4,6-7,9-10H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[2-[(1-ethylcyclobutyl)methylcarbamoyl]pyrrol-1-yl]acetic acid?
2-[2-[(1-ethylcyclobutyl)methylcarbamoyl]pyrrol-1-yl]acetic acid has a molecular weight of 264.32 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-ethylcyclobutyl)methylcarbamoyl]pyrrol-1-yl]acetic acid is sourced from PubChem (CID 114109249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).