(2S)-1-[2-(1-methylindazol-3-yl)acetyl]pyrrolidine-2-carboxylic acid

C15H17N3O3 — CID 122111228

IUPAC(2S)-1-[2-(1-methylindazol-3-yl)acetyl]pyrrolidine-2-carboxylic acid
SMILESCn1nc(CC(=O)N2CCC[C@H]2C(=O)O)c2ccccc21
InChIInChI=1S/C15H17N3O3/c1-17-12-6-3-2-5-10(12)11(16-17)9-14(19)18-8-4-7-13(18)15(20)21/h2-3,5-6,13H,4,7-9H2,1H3,(H,20,21)/t13-/m0/s1
InChIKeyDYUYBKVNFYERHA-ZDUSSCGKSA-N
MW287.32 g/mol
LogP1.19
Rot. Bonds3

About (2S)-1-[2-(1-methylindazol-3-yl)acetyl]pyrrolidine-2-carboxylic acid

(2S)-1-[2-(1-methylindazol-3-yl)acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 122111228) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is (2S)-1-[2-(1-methylindazol-3-yl)acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[2-(1-methylindazol-3-yl)acetyl]pyrrolidine-2-carboxylic acid
PubChem CID122111228
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name(2S)-1-[2-(1-methylindazol-3-yl)acetyl]pyrrolidine-2-carboxylic acid
SMILESCn1nc(CC(=O)N2CCC[C@H]2C(=O)O)c2ccccc21
InChIInChI=1S/C15H17N3O3/c1-17-12-6-3-2-5-10(12)11(16-17)9-14(19)18-8-4-7-13(18)15(20)21/h2-3,5-6,13H,4,7-9H2,1H3,(H,20,21)/t13-/m0/s1
InChIKeyDYUYBKVNFYERHA-ZDUSSCGKSA-N
XLogP1.19
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[2-(1-methylindazol-3-yl)acetyl]piperidine-3-carboxylic acid
CID 122107141
4-methoxy-1-[2-(1-methylindazol-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 122108321
1-(1-methylindazole-3-carbonyl)piperidine-2-carboxylic acid
CID 103116391
(2S)-1-[2-(3-methyl-2-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid
CID 107147142
1-[2-(1,2-benzoxazol-3-yl)acetyl]piperidine-2-carboxylic acid
CID 16789710
1-[2-(9-oxoacridin-10-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119355662
1-(2-naphthalen-1-ylacetyl)piperidine-2-carboxylic acid
CID 43822910
(2S)-1-[2-(1-benzothiophen-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 10541446
1-[2-(1-benzothiophen-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 85178324
2-(1-methylindazol-3-yl)acetamide
CID 67465474
1-(1-aminocyclopentyl)-2-(1-methylindazol-3-yl)ethanone
CID 116558804
1-[2-(3-methyl-2-pyridinyl)acetyl]azepane-2-carboxylic acid
CID 107147224

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(1-methylindazol-3-yl)acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[2-(1-methylindazol-3-yl)acetyl]pyrrolidine-2-carboxylic acid (CID 122111228) is (2S)-1-[2-(1-methylindazol-3-yl)acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[2-(1-methylindazol-3-yl)acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[2-(1-methylindazol-3-yl)acetyl]pyrrolidine-2-carboxylic acid is Cn1nc(CC(=O)N2CCC[C@H]2C(=O)O)c2ccccc21.
What is the InChIKey of (2S)-1-[2-(1-methylindazol-3-yl)acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is DYUYBKVNFYERHA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-17-12-6-3-2-5-10(12)11(16-17)9-14(19)18-8-4-7-13(18)15(20)21/h2-3,5-6,13H,4,7-9H2,1H3,(H,20,21)/t13-/m0/s1.
What are the key properties of (2S)-1-[2-(1-methylindazol-3-yl)acetyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[2-(1-methylindazol-3-yl)acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(1-methylindazol-3-yl)acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122111228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).