2-[1-[[(4-chloro-1-methylpyrrole-2-carbonyl)amino]methyl]cyclobutyl]acetic acid

C13H17ClN2O3 — CID 81163722

IUPAC2-[1-[[(4-chloro-1-methylpyrrole-2-carbonyl)amino]methyl]cyclobutyl]acetic acid
SMILESCn1cc(Cl)cc1C(=O)NCC1(CC(=O)O)CCC1
InChIInChI=1S/C13H17ClN2O3/c1-16-7-9(14)5-10(16)12(19)15-8-13(3-2-4-13)6-11(17)18/h5,7H,2-4,6,8H2,1H3,(H,15,19)(H,17,18)
InChIKeyMTJANQURQBWOPZ-UHFFFAOYSA-N
MW284.74 g/mol
LogP2.05
Rot. Bonds5

About 2-[1-[[(4-chloro-1-methylpyrrole-2-carbonyl)amino]methyl]cyclobutyl]acetic acid

2-[1-[[(4-chloro-1-methylpyrrole-2-carbonyl)amino]methyl]cyclobutyl]acetic acid (PubChem CID 81163722) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 2-[1-[[(4-chloro-1-methylpyrrole-2-carbonyl)amino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(4-chloro-1-methylpyrrole-2-carbonyl)amino]methyl]cyclobutyl]acetic acid
PubChem CID81163722
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name2-[1-[[(4-chloro-1-methylpyrrole-2-carbonyl)amino]methyl]cyclobutyl]acetic acid
SMILESCn1cc(Cl)cc1C(=O)NCC1(CC(=O)O)CCC1
InChIInChI=1S/C13H17ClN2O3/c1-16-7-9(14)5-10(16)12(19)15-8-13(3-2-4-13)6-11(17)18/h5,7H,2-4,6,8H2,1H3,(H,15,19)(H,17,18)
InChIKeyMTJANQURQBWOPZ-UHFFFAOYSA-N
XLogP2.05
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrrole-2-carboxamide
CID 113294464
1-[[(4-chloro-1-methylpyrrole-2-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443348
2-[1-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]cyclohexyl]acetic acid
CID 64671752
4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-1-methylpyrrole-2-carboxamide
CID 115878497
4-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-1-methylpyrrole-2-carboxamide
CID 79038769
N-[[1-(chloromethyl)cyclopentyl]methyl]-1-methyl-4-nitropyrrole-2-carboxamide
CID 115363943
2-[[2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]acetyl]amino]acetic acid
CID 43465535
2-[1-[[(4-bromo-2-chlorobenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 81164709
2-[1-[[(5-chloro-2-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 81165285
2-[1-[[(2-chloro-5-hydroxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 106500375
2-[1-[[(5-methylfuran-3-carbonyl)amino]methyl]cyclohexyl]acetic acid
CID 114818940
2-[1-[[(3,4,5-trichloropyridine-2-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81165414

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(4-chloro-1-methylpyrrole-2-carbonyl)amino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[(4-chloro-1-methylpyrrole-2-carbonyl)amino]methyl]cyclobutyl]acetic acid (CID 81163722) is 2-[1-[[(4-chloro-1-methylpyrrole-2-carbonyl)amino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[(4-chloro-1-methylpyrrole-2-carbonyl)amino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[(4-chloro-1-methylpyrrole-2-carbonyl)amino]methyl]cyclobutyl]acetic acid is Cn1cc(Cl)cc1C(=O)NCC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[[(4-chloro-1-methylpyrrole-2-carbonyl)amino]methyl]cyclobutyl]acetic acid?
The InChIKey is MTJANQURQBWOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-16-7-9(14)5-10(16)12(19)15-8-13(3-2-4-13)6-11(17)18/h5,7H,2-4,6,8H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[1-[[(4-chloro-1-methylpyrrole-2-carbonyl)amino]methyl]cyclobutyl]acetic acid?
2-[1-[[(4-chloro-1-methylpyrrole-2-carbonyl)amino]methyl]cyclobutyl]acetic acid has a molecular weight of 284.74 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(4-chloro-1-methylpyrrole-2-carbonyl)amino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81163722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).