2-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-methylamino]acetic acid

C16H24N2O3 — CID 119172084

IUPAC2-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-methylamino]acetic acid
SMILESCc1cc(C(=O)N(C)CC(=O)O)c(C)n1C1CCCCC1
InChIInChI=1S/C16H24N2O3/c1-11-9-14(16(21)17(3)10-15(19)20)12(2)18(11)13-7-5-4-6-8-13/h9,13H,4-8,10H2,1-3H3,(H,19,20)
InChIKeyFOTIEHVUQWHVCN-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.77
Rot. Bonds4

About 2-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-methylamino]acetic acid

2-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-methylamino]acetic acid (PubChem CID 119172084) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-methylamino]acetic acid
PubChem CID119172084
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-methylamino]acetic acid
SMILESCc1cc(C(=O)N(C)CC(=O)O)c(C)n1C1CCCCC1
InChIInChI=1S/C16H24N2O3/c1-11-9-14(16(21)17(3)10-15(19)20)12(2)18(11)13-7-5-4-6-8-13/h9,13H,4-8,10H2,1-3H3,(H,19,20)
InChIKeyFOTIEHVUQWHVCN-UHFFFAOYSA-N
XLogP2.77
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-cyclohexyl-2,5-dimethylpyrrole-3-carboxylate
CID 90379200
N-(2-aminoethyl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide
CID 119383110
1-cyclohexyl-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2,5-dimethylpyrrole-3-carboxamide
CID 56512324
2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-methylamino]acetic acid
CID 119172481
1-cyclopropyl-N-[2-(2-ethylanilino)-2-oxoethyl]-N,2,5-trimethylpyrrole-3-carboxamide
CID 17454203
1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone
CID 110655106
2-[benzyl(ethyl)amino]-1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 110655093
1-cyclohexyl-N-[2-(diethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide
CID 55683303
1-cyclopropyl-N,2,5-trimethyl-N-(2-pyridin-4-ylethyl)pyrrole-3-carboxamide
CID 110698865
1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-phenoxyethanone
CID 110656364
2-[acetyl-[1-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)azepan-4-yl]amino]acetic acid
CID 128968581
4-[2-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110659261

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-methylamino]acetic acid?
The IUPAC name of 2-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-methylamino]acetic acid (CID 119172084) is 2-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-methylamino]acetic acid is Cc1cc(C(=O)N(C)CC(=O)O)c(C)n1C1CCCCC1.
What is the InChIKey of 2-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-methylamino]acetic acid?
The InChIKey is FOTIEHVUQWHVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11-9-14(16(21)17(3)10-15(19)20)12(2)18(11)13-7-5-4-6-8-13/h9,13H,4-8,10H2,1-3H3,(H,19,20).
What are the key properties of 2-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-methylamino]acetic acid?
2-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-methylamino]acetic acid has a molecular weight of 292.38 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-methylamino]acetic acid is sourced from PubChem (CID 119172084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).