2-[tert-butyl-(1-cyclobutylpyrrole-2-carbonyl)amino]acetic acid

C15H22N2O3 — CID 114608980

IUPAC2-[tert-butyl-(1-cyclobutylpyrrole-2-carbonyl)amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)c1cccn1C1CCC1
InChIInChI=1S/C15H22N2O3/c1-15(2,3)17(10-13(18)19)14(20)12-8-5-9-16(12)11-6-4-7-11/h5,8-9,11H,4,6-7,10H2,1-3H3,(H,18,19)
InChIKeySPHFBIMKUOCHSG-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.54
Rot. Bonds4

About 2-[tert-butyl-(1-cyclobutylpyrrole-2-carbonyl)amino]acetic acid

2-[tert-butyl-(1-cyclobutylpyrrole-2-carbonyl)amino]acetic acid (PubChem CID 114608980) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[tert-butyl-(1-cyclobutylpyrrole-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-(1-cyclobutylpyrrole-2-carbonyl)amino]acetic acid
PubChem CID114608980
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[tert-butyl-(1-cyclobutylpyrrole-2-carbonyl)amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)c1cccn1C1CCC1
InChIInChI=1S/C15H22N2O3/c1-15(2,3)17(10-13(18)19)14(20)12-8-5-9-16(12)11-6-4-7-11/h5,8-9,11H,4,6-7,10H2,1-3H3,(H,18,19)
InChIKeySPHFBIMKUOCHSG-UHFFFAOYSA-N
XLogP2.54
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-cyclobutylpyrrole-2-carbonyl)-methylamino]acetic acid
CID 114608607
2-[(1-cyclopropylpyrrole-2-carbonyl)-methylamino]acetic acid
CID 43639286
2-[tert-butyl-(1-methylpyrrole-2-carbonyl)amino]acetic acid
CID 79265767
2-[(1-cyclobutylpyrrole-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 114608759
N-[2-(aminomethyl)cyclohexyl]-1-cyclobutyl-N-methylpyrrole-2-carboxamide
CID 114610428
1-cyclobutyl-N-[(4-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide
CID 114609355
N,1-di(cyclobutyl)-N-(3-hydroxypropyl)pyrrole-2-carboxamide
CID 102866070
N-(4-aminocyclohexyl)-1-cyclobutyl-N-methylpyrrole-2-carboxamide
CID 114610482
1-cyclobutyl-N-(2-hydroxy-2-methylbutyl)pyrrole-2-carboxamide
CID 114609625
N-methyl-N-(2-methylbutan-2-yl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 63965050
1-cyclopentyl-N-(2-hydroxypropyl)-N-propan-2-ylpyrrole-2-carboxamide
CID 110011714
methyl 1-cyclobutylpyrrole-2-carboxylate
CID 114609410

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-(1-cyclobutylpyrrole-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[tert-butyl-(1-cyclobutylpyrrole-2-carbonyl)amino]acetic acid (CID 114608980) is 2-[tert-butyl-(1-cyclobutylpyrrole-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-(1-cyclobutylpyrrole-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-(1-cyclobutylpyrrole-2-carbonyl)amino]acetic acid is CC(C)(C)N(CC(=O)O)C(=O)c1cccn1C1CCC1.
What is the InChIKey of 2-[tert-butyl-(1-cyclobutylpyrrole-2-carbonyl)amino]acetic acid?
The InChIKey is SPHFBIMKUOCHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2,3)17(10-13(18)19)14(20)12-8-5-9-16(12)11-6-4-7-11/h5,8-9,11H,4,6-7,10H2,1-3H3,(H,18,19).
What are the key properties of 2-[tert-butyl-(1-cyclobutylpyrrole-2-carbonyl)amino]acetic acid?
2-[tert-butyl-(1-cyclobutylpyrrole-2-carbonyl)amino]acetic acid has a molecular weight of 278.35 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-(1-cyclobutylpyrrole-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 114608980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).