2-[carboxymethyl-[5-methyl-1-(oxan-2-yl)indazol-6-yl]amino]acetic acid

C17H21N3O5 — CID 58135085

IUPAC2-[carboxymethyl-[5-methyl-1-(oxan-2-yl)indazol-6-yl]amino]acetic acid
SMILESCc1cc2cnn(C3CCCCO3)c2cc1N(CC(=O)O)CC(=O)O
InChIInChI=1S/C17H21N3O5/c1-11-6-12-8-18-20(15-4-2-3-5-25-15)14(12)7-13(11)19(9-16(21)22)10-17(23)24/h6-8,15H,2-5,9-10H2,1H3,(H,21,22)(H,23,24)
InChIKeyJASSAOBLOYJBMU-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.02
Rot. Bonds6

About 2-[carboxymethyl-[5-methyl-1-(oxan-2-yl)indazol-6-yl]amino]acetic acid

2-[carboxymethyl-[5-methyl-1-(oxan-2-yl)indazol-6-yl]amino]acetic acid (PubChem CID 58135085) has the molecular formula C17H21N3O5 and a molecular weight of 347.37 g/mol. Its IUPAC name is 2-[carboxymethyl-[5-methyl-1-(oxan-2-yl)indazol-6-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[5-methyl-1-(oxan-2-yl)indazol-6-yl]amino]acetic acid
PubChem CID58135085
Molecular FormulaC17H21N3O5
Molecular Weight347.37 g/mol
Exact Mass347.15
IUPAC Name2-[carboxymethyl-[5-methyl-1-(oxan-2-yl)indazol-6-yl]amino]acetic acid
SMILESCc1cc2cnn(C3CCCCO3)c2cc1N(CC(=O)O)CC(=O)O
InChIInChI=1S/C17H21N3O5/c1-11-6-12-8-18-20(15-4-2-3-5-25-15)14(12)7-13(11)19(9-16(21)22)10-17(23)24/h6-8,15H,2-5,9-10H2,1H3,(H,21,22)(H,23,24)
InChIKeyJASSAOBLOYJBMU-UHFFFAOYSA-N
XLogP2.02
TPSA104.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-methyl-1-(oxan-2-yl)indazol-6-yl]acetic acid
CID 126485697
5-methyl-1-(oxan-2-yl)indazol-6-ol
CID 137284218
(3R)-3-[5-methyl-1-(oxan-2-yl)indazol-6-yl]oxypyrrolidine-1-carboxylic acid
CID 175149374
5-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]amino]-4,4-dimethylpentanoic acid
CID 175143835
2-bromo-1-[1-(oxan-2-yl)indazol-5-yl]ethanone
CID 170560839
5-bromo-6-chloro-1-(oxan-2-yl)indazole
CID 139347721
bromomethyl 1-(oxan-2-yl)indazole-6-carboxylate
CID 168860829
5-bromo-1-[(2S)-oxan-2-yl]pyrazolo[3,4-c]pyridine
CID 124518406
5-chloro-1-(oxan-2-yl)indazole
CID 138754771
6-bromo-1-(oxan-2-yl)pyrazolo[4,3-c]pyridine
CID 121228962
[1-(oxan-2-yl)indazol-6-yl]methanamine
CID 18616200
6-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-5-methyl-1-(oxan-2-yl)indazole
CID 135273826

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[5-methyl-1-(oxan-2-yl)indazol-6-yl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[5-methyl-1-(oxan-2-yl)indazol-6-yl]amino]acetic acid (CID 58135085) is 2-[carboxymethyl-[5-methyl-1-(oxan-2-yl)indazol-6-yl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[5-methyl-1-(oxan-2-yl)indazol-6-yl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[5-methyl-1-(oxan-2-yl)indazol-6-yl]amino]acetic acid is Cc1cc2cnn(C3CCCCO3)c2cc1N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl-[5-methyl-1-(oxan-2-yl)indazol-6-yl]amino]acetic acid?
The InChIKey is JASSAOBLOYJBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5/c1-11-6-12-8-18-20(15-4-2-3-5-25-15)14(12)7-13(11)19(9-16(21)22)10-17(23)24/h6-8,15H,2-5,9-10H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-[carboxymethyl-[5-methyl-1-(oxan-2-yl)indazol-6-yl]amino]acetic acid?
2-[carboxymethyl-[5-methyl-1-(oxan-2-yl)indazol-6-yl]amino]acetic acid has a molecular weight of 347.37 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[5-methyl-1-(oxan-2-yl)indazol-6-yl]amino]acetic acid is sourced from PubChem (CID 58135085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).