ethyl 4-amino-2-(5-fluoro-1H-indol-3-yl)butanoate

C14H17FN2O2 — CID 57300309

IUPACethyl 4-amino-2-(5-fluoro-1H-indol-3-yl)butanoate
SMILESCCOC(=O)C(CCN)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C14H17FN2O2/c1-2-19-14(18)10(5-6-16)12-8-17-13-4-3-9(15)7-11(12)13/h3-4,7-8,10,17H,2,5-6,16H2,1H3
InChIKeySPVMCUUCHGZQSQ-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.30
Rot. Bonds5

About ethyl 4-amino-2-(5-fluoro-1H-indol-3-yl)butanoate

ethyl 4-amino-2-(5-fluoro-1H-indol-3-yl)butanoate (PubChem CID 57300309) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is ethyl 4-amino-2-(5-fluoro-1H-indol-3-yl)butanoate.

Molecular Properties

Compound Nameethyl 4-amino-2-(5-fluoro-1H-indol-3-yl)butanoate
PubChem CID57300309
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Nameethyl 4-amino-2-(5-fluoro-1H-indol-3-yl)butanoate
SMILESCCOC(=O)C(CCN)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C14H17FN2O2/c1-2-19-14(18)10(5-6-16)12-8-17-13-4-3-9(15)7-11(12)13/h3-4,7-8,10,17H,2,5-6,16H2,1H3
InChIKeySPVMCUUCHGZQSQ-UHFFFAOYSA-N
XLogP2.30
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-fluoro-1H-indol-3-yl)hexanoic acid
CID 67748915
3-(5-fluoro-1H-indol-3-yl)pentan-1-amine
CID 57147957
ethyl 2-(5-methylsulfanyl-1H-indol-3-yl)butanoate
CID 102584292
ethyl 2-(6-fluoro-1H-indol-3-yl)-2-hydroxyacetate
CID 115073267
3-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid
CID 82617027
ethyl 2-(5-acetamido-1H-indol-3-yl)butanoate
CID 102584291
1-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 55297904
2-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 13060
1-(5-fluoro-1H-indol-3-yl)propan-1-ol
CID 118499302
ethyl 2-amino-2-(5-methyl-1H-indol-3-yl)acetate;hydrochloride
CID 78166336
(3S,4S)-3-amino-4-(5-fluoro-1H-indol-3-yl)pentan-2-one
CID 122607429
ethyl (E)-3-(5-fluoro-1H-indol-3-yl)prop-2-enoate
CID 171922360

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-(5-fluoro-1H-indol-3-yl)butanoate?
The IUPAC name of ethyl 4-amino-2-(5-fluoro-1H-indol-3-yl)butanoate (CID 57300309) is ethyl 4-amino-2-(5-fluoro-1H-indol-3-yl)butanoate.
What is the SMILES notation for ethyl 4-amino-2-(5-fluoro-1H-indol-3-yl)butanoate?
The canonical SMILES for ethyl 4-amino-2-(5-fluoro-1H-indol-3-yl)butanoate is CCOC(=O)C(CCN)c1c[nH]c2ccc(F)cc12.
What is the InChIKey of ethyl 4-amino-2-(5-fluoro-1H-indol-3-yl)butanoate?
The InChIKey is SPVMCUUCHGZQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-2-19-14(18)10(5-6-16)12-8-17-13-4-3-9(15)7-11(12)13/h3-4,7-8,10,17H,2,5-6,16H2,1H3.
What are the key properties of ethyl 4-amino-2-(5-fluoro-1H-indol-3-yl)butanoate?
ethyl 4-amino-2-(5-fluoro-1H-indol-3-yl)butanoate has a molecular weight of 264.30 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-(5-fluoro-1H-indol-3-yl)butanoate is sourced from PubChem (CID 57300309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).