methyl 2-amino-3-(5-fluoro-1-methylindol-2-yl)propanoate

C13H15FN2O2 — CID 170884498

IUPACmethyl 2-amino-3-(5-fluoro-1-methylindol-2-yl)propanoate
SMILESCOC(=O)C(N)Cc1cc2cc(F)ccc2n1C
InChIInChI=1S/C13H15FN2O2/c1-16-10(7-11(15)13(17)18-2)6-8-5-9(14)3-4-12(8)16/h3-6,11H,7,15H2,1-2H3
InChIKeyLMXXUIRDAUCDRT-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.36
Rot. Bonds3

About methyl 2-amino-3-(5-fluoro-1-methylindol-2-yl)propanoate

methyl 2-amino-3-(5-fluoro-1-methylindol-2-yl)propanoate (PubChem CID 170884498) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is methyl 2-amino-3-(5-fluoro-1-methylindol-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(5-fluoro-1-methylindol-2-yl)propanoate
PubChem CID170884498
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Namemethyl 2-amino-3-(5-fluoro-1-methylindol-2-yl)propanoate
SMILESCOC(=O)C(N)Cc1cc2cc(F)ccc2n1C
InChIInChI=1S/C13H15FN2O2/c1-16-10(7-11(15)13(17)18-2)6-8-5-9(14)3-4-12(8)16/h3-6,11H,7,15H2,1-2H3
InChIKeyLMXXUIRDAUCDRT-UHFFFAOYSA-N
XLogP1.36
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-fluoro-1-methylindol-2-yl)-2-methylpropanoic acid
CID 83859983
2-amino-3-(1,5-dimethylindol-2-yl)propanoic acid
CID 82663207
5-fluoro-2-(methoxymethyl)-1-methylindole
CID 117176892
O-[(5-fluoro-1-methylindol-2-yl)methyl]hydroxylamine
CID 117195230
2-(5-fluoro-1-methylindol-2-yl)ethanamine
CID 55253436
ethyl 5-fluoro-1-methylindole-2-carboxylate
CID 10775338
methyl 2-amino-3-(4-fluoro-2,6-dimethylphenyl)propanoate
CID 170883567
methyl (2S)-2-amino-3-(2-cyano-4-fluorophenyl)propanoate
CID 155190185
methyl 2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propanoate
CID 170883448
methyl (2S)-2-amino-3-[4-(4-fluorophenyl)phenyl]propanoate;hydrochloride
CID 66719586
methyl (2R)-2-amino-3-(3-fluoro-5-hydroxyphenyl)propanoate
CID 124518463
methyl (2S)-2-amino-3-(4-fluoro-2-nitrophenyl)propanoate
CID 171238467

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(5-fluoro-1-methylindol-2-yl)propanoate?
The IUPAC name of methyl 2-amino-3-(5-fluoro-1-methylindol-2-yl)propanoate (CID 170884498) is methyl 2-amino-3-(5-fluoro-1-methylindol-2-yl)propanoate.
What is the SMILES notation for methyl 2-amino-3-(5-fluoro-1-methylindol-2-yl)propanoate?
The canonical SMILES for methyl 2-amino-3-(5-fluoro-1-methylindol-2-yl)propanoate is COC(=O)C(N)Cc1cc2cc(F)ccc2n1C.
What is the InChIKey of methyl 2-amino-3-(5-fluoro-1-methylindol-2-yl)propanoate?
The InChIKey is LMXXUIRDAUCDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-16-10(7-11(15)13(17)18-2)6-8-5-9(14)3-4-12(8)16/h3-6,11H,7,15H2,1-2H3.
What are the key properties of methyl 2-amino-3-(5-fluoro-1-methylindol-2-yl)propanoate?
methyl 2-amino-3-(5-fluoro-1-methylindol-2-yl)propanoate has a molecular weight of 250.27 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(5-fluoro-1-methylindol-2-yl)propanoate is sourced from PubChem (CID 170884498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).