2-[cyclopropyl(1H-indazole-7-carbonyl)amino]propanoic acid

C14H15N3O3 — CID 119203134

IUPAC2-[cyclopropyl(1H-indazole-7-carbonyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)c1cccc2cn[nH]c12)C1CC1
InChIInChI=1S/C14H15N3O3/c1-8(14(19)20)17(10-5-6-10)13(18)11-4-2-3-9-7-15-16-12(9)11/h2-4,7-8,10H,5-6H2,1H3,(H,15,16)(H,19,20)
InChIKeyGXRDXNJKHOPXFA-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.64
Rot. Bonds4

About 2-[cyclopropyl(1H-indazole-7-carbonyl)amino]propanoic acid

2-[cyclopropyl(1H-indazole-7-carbonyl)amino]propanoic acid (PubChem CID 119203134) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[cyclopropyl(1H-indazole-7-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl(1H-indazole-7-carbonyl)amino]propanoic acid
PubChem CID119203134
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-[cyclopropyl(1H-indazole-7-carbonyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)c1cccc2cn[nH]c12)C1CC1
InChIInChI=1S/C14H15N3O3/c1-8(14(19)20)17(10-5-6-10)13(18)11-4-2-3-9-7-15-16-12(9)11/h2-4,7-8,10H,5-6H2,1H3,(H,15,16)(H,19,20)
InChIKeyGXRDXNJKHOPXFA-UHFFFAOYSA-N
XLogP1.64
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Indazole-7-carboxamide
CID 44586040
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-7-carboxamide
CID 44337915
N-pentan-3-yl-1H-indazole-7-carboxamide
CID 47021186
N-(1-morpholin-4-ylpropan-2-yl)-1H-indazole-7-carboxamide
CID 51081194
1h-Indazole-7-carboxamide,n,n-diethyl-
CID 40012386
N-tert-butyl-1H-indazole-7-carboxamide
CID 47154069
1H-indazol-7-yl(pyrrolidin-1-yl)methanone
CID 24659889
N-[(2-fluorophenyl)methyl]-N-methyl-1H-indazole-7-carboxamide
CID 39975072
N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-indazole-7-carboxamide
CID 40144817
1H-indazol-7-yl-(4-methylpiperidin-1-yl)methanone
CID 43048609
N-cyclopropyl-1H-indazole-7-carboxamide
CID 45778621
N-[2-(tert-butylamino)-2-oxoethyl]-1H-indazole-7-carboxamide
CID 45778664

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(1H-indazole-7-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl(1H-indazole-7-carbonyl)amino]propanoic acid (CID 119203134) is 2-[cyclopropyl(1H-indazole-7-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl(1H-indazole-7-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl(1H-indazole-7-carbonyl)amino]propanoic acid is CC(C(=O)O)N(C(=O)c1cccc2cn[nH]c12)C1CC1.
What is the InChIKey of 2-[cyclopropyl(1H-indazole-7-carbonyl)amino]propanoic acid?
The InChIKey is GXRDXNJKHOPXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-8(14(19)20)17(10-5-6-10)13(18)11-4-2-3-9-7-15-16-12(9)11/h2-4,7-8,10H,5-6H2,1H3,(H,15,16)(H,19,20).
What are the key properties of 2-[cyclopropyl(1H-indazole-7-carbonyl)amino]propanoic acid?
2-[cyclopropyl(1H-indazole-7-carbonyl)amino]propanoic acid has a molecular weight of 273.29 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(1H-indazole-7-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119203134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).