2-[5-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]indol-1-yl]acetic acid

C20H23N3O3 — CID 119235594

IUPAC2-[5-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]indol-1-yl]acetic acid
SMILESCc1cc(C(=O)Nc2ccc3c(ccn3CC(=O)O)c2)c(C)n1C(C)C
InChIInChI=1S/C20H23N3O3/c1-12(2)23-13(3)9-17(14(23)4)20(26)21-16-5-6-18-15(10-16)7-8-22(18)11-19(24)25/h5-10,12H,11H2,1-4H3,(H,21,26)(H,24,25)
InChIKeyODBSMDCHNOXWIU-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.98
Rot. Bonds5

About 2-[5-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]indol-1-yl]acetic acid

2-[5-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]indol-1-yl]acetic acid (PubChem CID 119235594) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-[5-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]indol-1-yl]acetic acid
PubChem CID119235594
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2-[5-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]indol-1-yl]acetic acid
SMILESCc1cc(C(=O)Nc2ccc3c(ccn3CC(=O)O)c2)c(C)n1C(C)C
InChIInChI=1S/C20H23N3O3/c1-12(2)23-13(3)9-17(14(23)4)20(26)21-16-5-6-18-15(10-16)7-8-22(18)11-19(24)25/h5-10,12H,11H2,1-4H3,(H,21,26)(H,24,25)
InChIKeyODBSMDCHNOXWIU-UHFFFAOYSA-N
XLogP3.98
TPSA76.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[5-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]indol-1-yl]acetic acid with MolForge

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Related Compounds

2-[5-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]indol-1-yl]acetic acid
CID 119235417
2-[5-[(2-methyl-3-methylsulfanylpropanoyl)amino]indol-1-yl]acetic acid
CID 119235489
N-(4-bromo-3-methylphenyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 9095989
N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 8884375
2-[5-[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]indol-1-yl]acetic acid
CID 119235412
2-[5-[(1-tert-butyl-5-ethylpyrazole-4-carbonyl)amino]indol-1-yl]acetic acid
CID 119235427
N-(2,3-dihydro-1H-inden-5-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 8920973
N-(1H-indazol-6-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 110698951
2-[5-[[2-(2-methoxyethoxy)acetyl]amino]indol-1-yl]acetic acid
CID 119235392
2-[5-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]indol-1-yl]acetic acid
CID 119235395
2-[5-(5-methoxypentanoylamino)indol-1-yl]acetic acid
CID 119235428
N-[3-(diethylcarbamoyl)phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 78775472

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]indol-1-yl]acetic acid?
The IUPAC name of 2-[5-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]indol-1-yl]acetic acid (CID 119235594) is 2-[5-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]indol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]indol-1-yl]acetic acid?
The canonical SMILES for 2-[5-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]indol-1-yl]acetic acid is Cc1cc(C(=O)Nc2ccc3c(ccn3CC(=O)O)c2)c(C)n1C(C)C.
What is the InChIKey of 2-[5-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]indol-1-yl]acetic acid?
The InChIKey is ODBSMDCHNOXWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-12(2)23-13(3)9-17(14(23)4)20(26)21-16-5-6-18-15(10-16)7-8-22(18)11-19(24)25/h5-10,12H,11H2,1-4H3,(H,21,26)(H,24,25).
What are the key properties of 2-[5-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]indol-1-yl]acetic acid?
2-[5-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]indol-1-yl]acetic acid has a molecular weight of 353.42 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]indol-1-yl]acetic acid is sourced from PubChem (CID 119235594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).