2-amino-3-(7-fluoro-4-methoxy-6-methyl-2H-indazol-3-yl)propanoic acid

C12H14FN3O3 — CID 178095816

IUPAC2-amino-3-(7-fluoro-4-methoxy-6-methyl-2H-indazol-3-yl)propanoic acid
SMILESCOc1cc(C)c(F)c2n[nH]c(CC(N)C(=O)O)c12
InChIInChI=1S/C12H14FN3O3/c1-5-3-8(19-2)9-7(4-6(14)12(17)18)15-16-11(9)10(5)13/h3,6H,4,14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyJYIQZVMAJNTATE-UHFFFAOYSA-N
MW267.26 g/mol
LogP0.97
Rot. Bonds4

About 2-amino-3-(7-fluoro-4-methoxy-6-methyl-2H-indazol-3-yl)propanoic acid

2-amino-3-(7-fluoro-4-methoxy-6-methyl-2H-indazol-3-yl)propanoic acid (PubChem CID 178095816) has the molecular formula C12H14FN3O3 and a molecular weight of 267.26 g/mol. Its IUPAC name is 2-amino-3-(7-fluoro-4-methoxy-6-methyl-2H-indazol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(7-fluoro-4-methoxy-6-methyl-2H-indazol-3-yl)propanoic acid
PubChem CID178095816
Molecular FormulaC12H14FN3O3
Molecular Weight267.26 g/mol
Exact Mass267.10
IUPAC Name2-amino-3-(7-fluoro-4-methoxy-6-methyl-2H-indazol-3-yl)propanoic acid
SMILESCOc1cc(C)c(F)c2n[nH]c(CC(N)C(=O)O)c12
InChIInChI=1S/C12H14FN3O3/c1-5-3-8(19-2)9-7(4-6(14)12(17)18)15-16-11(9)10(5)13/h3,6H,4,14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyJYIQZVMAJNTATE-UHFFFAOYSA-N
XLogP0.97
TPSA101.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

CID 178095805
CID 178095805
2-amino-3-(6-carbamoyl-4-fluoro-7-methoxy-5-methyl-2H-indazol-3-yl)propanoic acid;ethane
CID 178095877
(2R)-2-amino-3-(4-fluoro-3,5-dimethylphenyl)propanoic acid
CID 93478162
2-amino-3-(2-hydroxy-5-methoxy-4-methylphenyl)propanoic acid
CID 117323060
2-amino-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid
CID 117326521
[5-(2-amino-2-carboxyethyl)-4-fluoro-1H-pyrazol-3-yl]astatine
CID 178095652
2-amino-3-(3-bromo-2,6-difluoro-4-methoxyphenyl)propanoic acid
CID 117494622
2-amino-3-(3-fluoro-2,4,5-trimethoxyphenyl)propanoic acid
CID 117435384
2-amino-3-(5-fluoro-6-methoxy-4-methyl-1H-indol-3-yl)propanoic acid;ethane
CID 178095684
2-amino-3-(5-(18F)fluoro-2-methoxyphenyl)propanoic acid
CID 146168544
2-amino-3-(2-methoxy-4,5-dimethylphenyl)sulfanylpropanoic acid
CID 117034719
2-amino-3-(4-fluoro-5-methyl-1H-pyrazol-3-yl)propanoic acid
CID 178095746

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(7-fluoro-4-methoxy-6-methyl-2H-indazol-3-yl)propanoic acid?
The IUPAC name of 2-amino-3-(7-fluoro-4-methoxy-6-methyl-2H-indazol-3-yl)propanoic acid (CID 178095816) is 2-amino-3-(7-fluoro-4-methoxy-6-methyl-2H-indazol-3-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(7-fluoro-4-methoxy-6-methyl-2H-indazol-3-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(7-fluoro-4-methoxy-6-methyl-2H-indazol-3-yl)propanoic acid is COc1cc(C)c(F)c2n[nH]c(CC(N)C(=O)O)c12.
What is the InChIKey of 2-amino-3-(7-fluoro-4-methoxy-6-methyl-2H-indazol-3-yl)propanoic acid?
The InChIKey is JYIQZVMAJNTATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3/c1-5-3-8(19-2)9-7(4-6(14)12(17)18)15-16-11(9)10(5)13/h3,6H,4,14H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-amino-3-(7-fluoro-4-methoxy-6-methyl-2H-indazol-3-yl)propanoic acid?
2-amino-3-(7-fluoro-4-methoxy-6-methyl-2H-indazol-3-yl)propanoic acid has a molecular weight of 267.26 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(7-fluoro-4-methoxy-6-methyl-2H-indazol-3-yl)propanoic acid is sourced from PubChem (CID 178095816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).