2-[(1-cyclobutylpyrrole-2-carbonyl)-methylamino]acetic acid

C12H16N2O3 — CID 114608607

IUPAC2-[(1-cyclobutylpyrrole-2-carbonyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1cccn1C1CCC1
InChIInChI=1S/C12H16N2O3/c1-13(8-11(15)16)12(17)10-6-3-7-14(10)9-4-2-5-9/h3,6-7,9H,2,4-5,8H2,1H3,(H,15,16)
InChIKeySLTMFCMKZRVGKV-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.37
Rot. Bonds4

About 2-[(1-cyclobutylpyrrole-2-carbonyl)-methylamino]acetic acid

2-[(1-cyclobutylpyrrole-2-carbonyl)-methylamino]acetic acid (PubChem CID 114608607) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[(1-cyclobutylpyrrole-2-carbonyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(1-cyclobutylpyrrole-2-carbonyl)-methylamino]acetic acid
PubChem CID114608607
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-[(1-cyclobutylpyrrole-2-carbonyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1cccn1C1CCC1
InChIInChI=1S/C12H16N2O3/c1-13(8-11(15)16)12(17)10-6-3-7-14(10)9-4-2-5-9/h3,6-7,9H,2,4-5,8H2,1H3,(H,15,16)
InChIKeySLTMFCMKZRVGKV-UHFFFAOYSA-N
XLogP1.37
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-cyclopropylpyrrole-2-carbonyl)-methylamino]acetic acid
CID 43639286
2-[tert-butyl-(1-cyclobutylpyrrole-2-carbonyl)amino]acetic acid
CID 114608980
1-cyclobutyl-N-[(4-hydroxyphenyl)methyl]-N-methylpyrrole-2-carboxamide
CID 114609355
2-[(1-cyclobutylpyrrole-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 114608759
1-cyclopropyl-N-(2-hydroxyethyl)-N-methylpyrrole-2-carboxamide
CID 60962060
1-cyclobutyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyrrole-2-carboxamide
CID 114609917
3-[methyl-(1-piperidin-4-ylpyrrole-2-carbonyl)amino]propanoic acid
CID 62715589
N-(4-aminocyclohexyl)-1-cyclobutyl-N-methylpyrrole-2-carboxamide
CID 114610482
1-cyclopentyl-N-(2-hydroxypropyl)-N-propan-2-ylpyrrole-2-carboxamide
CID 110011714
N-[2-(aminomethyl)cyclohexyl]-1-cyclobutyl-N-methylpyrrole-2-carboxamide
CID 114610428
1-cyclobutyl-N-methyl-N-(morpholin-2-ylmethyl)pyrrole-2-carboxamide
CID 114610561
N,1-di(cyclobutyl)-N-(3-hydroxypropyl)pyrrole-2-carboxamide
CID 102866070

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclobutylpyrrole-2-carbonyl)-methylamino]acetic acid?
The IUPAC name of 2-[(1-cyclobutylpyrrole-2-carbonyl)-methylamino]acetic acid (CID 114608607) is 2-[(1-cyclobutylpyrrole-2-carbonyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(1-cyclobutylpyrrole-2-carbonyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(1-cyclobutylpyrrole-2-carbonyl)-methylamino]acetic acid is CN(CC(=O)O)C(=O)c1cccn1C1CCC1.
What is the InChIKey of 2-[(1-cyclobutylpyrrole-2-carbonyl)-methylamino]acetic acid?
The InChIKey is SLTMFCMKZRVGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-13(8-11(15)16)12(17)10-6-3-7-14(10)9-4-2-5-9/h3,6-7,9H,2,4-5,8H2,1H3,(H,15,16).
What are the key properties of 2-[(1-cyclobutylpyrrole-2-carbonyl)-methylamino]acetic acid?
2-[(1-cyclobutylpyrrole-2-carbonyl)-methylamino]acetic acid has a molecular weight of 236.27 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclobutylpyrrole-2-carbonyl)-methylamino]acetic acid is sourced from PubChem (CID 114608607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).