2-[cyclopropyl-(4,5-dimethyl-1H-indole-2-carbonyl)amino]propanoic acid

C17H20N2O3 — CID 119202881

IUPAC2-[cyclopropyl-(4,5-dimethyl-1H-indole-2-carbonyl)amino]propanoic acid
SMILESCc1ccc2[nH]c(C(=O)N(C3CC3)C(C)C(=O)O)cc2c1C
InChIInChI=1S/C17H20N2O3/c1-9-4-7-14-13(10(9)2)8-15(18-14)16(20)19(12-5-6-12)11(3)17(21)22/h4,7-8,11-12,18H,5-6H2,1-3H3,(H,21,22)
InChIKeyQAESBEKIPVHYCJ-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.86
Rot. Bonds4

About 2-[cyclopropyl-(4,5-dimethyl-1H-indole-2-carbonyl)amino]propanoic acid

2-[cyclopropyl-(4,5-dimethyl-1H-indole-2-carbonyl)amino]propanoic acid (PubChem CID 119202881) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[cyclopropyl-(4,5-dimethyl-1H-indole-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(4,5-dimethyl-1H-indole-2-carbonyl)amino]propanoic acid
PubChem CID119202881
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name2-[cyclopropyl-(4,5-dimethyl-1H-indole-2-carbonyl)amino]propanoic acid
SMILESCc1ccc2[nH]c(C(=O)N(C3CC3)C(C)C(=O)O)cc2c1C
InChIInChI=1S/C17H20N2O3/c1-9-4-7-14-13(10(9)2)8-15(18-14)16(20)19(12-5-6-12)11(3)17(21)22/h4,7-8,11-12,18H,5-6H2,1-3H3,(H,21,22)
InChIKeyQAESBEKIPVHYCJ-UHFFFAOYSA-N
XLogP2.86
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(4,5-dimethyl-1H-indole-2-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-(4,5-dimethyl-1H-indole-2-carbonyl)amino]propanoic acid (CID 119202881) is 2-[cyclopropyl-(4,5-dimethyl-1H-indole-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-(4,5-dimethyl-1H-indole-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-(4,5-dimethyl-1H-indole-2-carbonyl)amino]propanoic acid is Cc1ccc2[nH]c(C(=O)N(C3CC3)C(C)C(=O)O)cc2c1C.
What is the InChIKey of 2-[cyclopropyl-(4,5-dimethyl-1H-indole-2-carbonyl)amino]propanoic acid?
The InChIKey is QAESBEKIPVHYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-9-4-7-14-13(10(9)2)8-15(18-14)16(20)19(12-5-6-12)11(3)17(21)22/h4,7-8,11-12,18H,5-6H2,1-3H3,(H,21,22).
What are the key properties of 2-[cyclopropyl-(4,5-dimethyl-1H-indole-2-carbonyl)amino]propanoic acid?
2-[cyclopropyl-(4,5-dimethyl-1H-indole-2-carbonyl)amino]propanoic acid has a molecular weight of 300.36 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(4,5-dimethyl-1H-indole-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119202881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).