2-amino-2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)acetic acid

C12H14FNO4 — CID 117390658

IUPAC2-amino-2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)acetic acid
SMILESCOc1cc(F)cc(C(N)C(=O)O)c1OC1CC1
InChIInChI=1S/C12H14FNO4/c1-17-9-5-6(13)4-8(10(14)12(15)16)11(9)18-7-2-3-7/h4-5,7,10H,2-3,14H2,1H3,(H,15,16)
InChIKeyHLVDSDPRFZQAIG-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.46
Rot. Bonds5

About 2-amino-2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)acetic acid

2-amino-2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)acetic acid (PubChem CID 117390658) has the molecular formula C12H14FNO4 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2-amino-2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)acetic acid
PubChem CID117390658
Molecular FormulaC12H14FNO4
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Name2-amino-2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)acetic acid
SMILESCOc1cc(F)cc(C(N)C(=O)O)c1OC1CC1
InChIInChI=1S/C12H14FNO4/c1-17-9-5-6(13)4-8(10(14)12(15)16)11(9)18-7-2-3-7/h4-5,7,10H,2-3,14H2,1H3,(H,15,16)
InChIKeyHLVDSDPRFZQAIG-UHFFFAOYSA-N
XLogP1.46
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propanoic acid
CID 117426162
2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-amine
CID 117350804
2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-ol
CID 117353314
3-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-methylpropanoic acid
CID 117424223
2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)-2-oxoacetic acid
CID 117388271
2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-2-ol
CID 84701938
2-amino-2-(5-tert-butyl-2,3-dimethoxyphenyl)acetic acid
CID 117421670
1-[1-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)cyclopropyl]ethanamine
CID 117417328
2-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)-2-hydroxyacetic acid
CID 117405942
2-amino-2-(2,3-dimethoxy-5-methoxycarbonylphenyl)acetic acid
CID 117426052
2-amino-2-(5-ethyl-2,3-dimethoxyphenyl)acetic acid
CID 117350532
2-amino-3-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)propanoic acid
CID 117436914

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)acetic acid?
The IUPAC name of 2-amino-2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)acetic acid (CID 117390658) is 2-amino-2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)acetic acid?
The canonical SMILES for 2-amino-2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)acetic acid is COc1cc(F)cc(C(N)C(=O)O)c1OC1CC1.
What is the InChIKey of 2-amino-2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)acetic acid?
The InChIKey is HLVDSDPRFZQAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO4/c1-17-9-5-6(13)4-8(10(14)12(15)16)11(9)18-7-2-3-7/h4-5,7,10H,2-3,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)acetic acid?
2-amino-2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)acetic acid has a molecular weight of 255.24 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)acetic acid is sourced from PubChem (CID 117390658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).