3-[cyclopropyl-[2-(1-methylindazol-3-yl)acetyl]amino]-2-methylpropanoic acid

C17H21N3O3 — CID 122108377

IUPAC3-[cyclopropyl-[2-(1-methylindazol-3-yl)acetyl]amino]-2-methylpropanoic acid
SMILESCC(CN(C(=O)Cc1nn(C)c2ccccc12)C1CC1)C(=O)O
InChIInChI=1S/C17H21N3O3/c1-11(17(22)23)10-20(12-7-8-12)16(21)9-14-13-5-3-4-6-15(13)19(2)18-14/h3-6,11-12H,7-10H2,1-2H3,(H,22,23)
InChIKeyRWSGZZLVHCEUHW-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.83
Rot. Bonds6

About 3-[cyclopropyl-[2-(1-methylindazol-3-yl)acetyl]amino]-2-methylpropanoic acid

3-[cyclopropyl-[2-(1-methylindazol-3-yl)acetyl]amino]-2-methylpropanoic acid (PubChem CID 122108377) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-[cyclopropyl-[2-(1-methylindazol-3-yl)acetyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[2-(1-methylindazol-3-yl)acetyl]amino]-2-methylpropanoic acid
PubChem CID122108377
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name3-[cyclopropyl-[2-(1-methylindazol-3-yl)acetyl]amino]-2-methylpropanoic acid
SMILESCC(CN(C(=O)Cc1nn(C)c2ccccc12)C1CC1)C(=O)O
InChIInChI=1S/C17H21N3O3/c1-11(17(22)23)10-20(12-7-8-12)16(21)9-14-13-5-3-4-6-15(13)19(2)18-14/h3-6,11-12H,7-10H2,1-2H3,(H,22,23)
InChIKeyRWSGZZLVHCEUHW-UHFFFAOYSA-N
XLogP1.83
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[2-(1-methylindazol-3-yl)acetyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[cyclopropyl-[2-(1-methylindazol-3-yl)acetyl]amino]-2-methylpropanoic acid (CID 122108377) is 3-[cyclopropyl-[2-(1-methylindazol-3-yl)acetyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[2-(1-methylindazol-3-yl)acetyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[cyclopropyl-[2-(1-methylindazol-3-yl)acetyl]amino]-2-methylpropanoic acid is CC(CN(C(=O)Cc1nn(C)c2ccccc12)C1CC1)C(=O)O.
What is the InChIKey of 3-[cyclopropyl-[2-(1-methylindazol-3-yl)acetyl]amino]-2-methylpropanoic acid?
The InChIKey is RWSGZZLVHCEUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11(17(22)23)10-20(12-7-8-12)16(21)9-14-13-5-3-4-6-15(13)19(2)18-14/h3-6,11-12H,7-10H2,1-2H3,(H,22,23).
What are the key properties of 3-[cyclopropyl-[2-(1-methylindazol-3-yl)acetyl]amino]-2-methylpropanoic acid?
3-[cyclopropyl-[2-(1-methylindazol-3-yl)acetyl]amino]-2-methylpropanoic acid has a molecular weight of 315.37 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[2-(1-methylindazol-3-yl)acetyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 122108377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).