2,3-diamino-3-(5-fluoro-2-methoxyphenyl)propanoic acid

C10H13FN2O3 — CID 116942190

IUPAC2,3-diamino-3-(5-fluoro-2-methoxyphenyl)propanoic acid
SMILESCOc1ccc(F)cc1C(N)C(N)C(=O)O
InChIInChI=1S/C10H13FN2O3/c1-16-7-3-2-5(11)4-6(7)8(12)9(13)10(14)15/h2-4,8-9H,12-13H2,1H3,(H,14,15)
InChIKeyAUUYIDXJJIBMCC-UHFFFAOYSA-N
MW228.22 g/mol
LogP0.25
Rot. Bonds4

About 2,3-diamino-3-(5-fluoro-2-methoxyphenyl)propanoic acid

2,3-diamino-3-(5-fluoro-2-methoxyphenyl)propanoic acid (PubChem CID 116942190) has the molecular formula C10H13FN2O3 and a molecular weight of 228.22 g/mol. Its IUPAC name is 2,3-diamino-3-(5-fluoro-2-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2,3-diamino-3-(5-fluoro-2-methoxyphenyl)propanoic acid
PubChem CID116942190
Molecular FormulaC10H13FN2O3
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Name2,3-diamino-3-(5-fluoro-2-methoxyphenyl)propanoic acid
SMILESCOc1ccc(F)cc1C(N)C(N)C(=O)O
InChIInChI=1S/C10H13FN2O3/c1-16-7-3-2-5(11)4-6(7)8(12)9(13)10(14)15/h2-4,8-9H,12-13H2,1H3,(H,14,15)
InChIKeyAUUYIDXJJIBMCC-UHFFFAOYSA-N
XLogP0.25
TPSA98.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2R)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 96620692
(1S)-1-amino-1-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 131150420
2-(5-fluoro-2-methoxyphenyl)propanoic acid
CID 79002336
4-amino-4-(5-fluoro-2-methoxyphenyl)butan-2-one
CID 116940506
ethyl (3R)-3-amino-2-fluoro-3-(5-fluoro-2-methoxyphenyl)propanoate
CID 171241430
(E)-4-amino-4-(5-fluoro-2-methoxyphenyl)but-2-enoic acid
CID 116940824
amino-(5-fluoro-2-methoxyphenyl)methanethiol
CID 116939436
1-(5-fluoro-2-methoxyphenyl)butane-1,2-diamine
CID 165347841
(1R,2S)-1-amino-1-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutan-2-ol;hydrochloride
CID 171262534
3-amino-3-(5-fluoro-2-methoxyphenyl)-N'-methylpropanehydrazide
CID 116849643
1-[amino-(5-fluoro-2-methoxyphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116943063
2,3-diamino-3-(2,4-dimethoxyphenyl)propanoic acid
CID 116942209

Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-3-(5-fluoro-2-methoxyphenyl)propanoic acid?
The IUPAC name of 2,3-diamino-3-(5-fluoro-2-methoxyphenyl)propanoic acid (CID 116942190) is 2,3-diamino-3-(5-fluoro-2-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2,3-diamino-3-(5-fluoro-2-methoxyphenyl)propanoic acid?
The canonical SMILES for 2,3-diamino-3-(5-fluoro-2-methoxyphenyl)propanoic acid is COc1ccc(F)cc1C(N)C(N)C(=O)O.
What is the InChIKey of 2,3-diamino-3-(5-fluoro-2-methoxyphenyl)propanoic acid?
The InChIKey is AUUYIDXJJIBMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O3/c1-16-7-3-2-5(11)4-6(7)8(12)9(13)10(14)15/h2-4,8-9H,12-13H2,1H3,(H,14,15).
What are the key properties of 2,3-diamino-3-(5-fluoro-2-methoxyphenyl)propanoic acid?
2,3-diamino-3-(5-fluoro-2-methoxyphenyl)propanoic acid has a molecular weight of 228.22 g/mol, XLogP of 0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-3-(5-fluoro-2-methoxyphenyl)propanoic acid is sourced from PubChem (CID 116942190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).