ethyl (2R)-2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]propanoate

C15H17FN2O3 — CID 172548012

IUPACethyl (2R)-2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]propanoate
SMILESCCOC(=O)[C@@H](C)NC(=O)Cc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C15H17FN2O3/c1-3-21-15(20)9(2)18-14(19)6-10-8-17-13-7-11(16)4-5-12(10)13/h4-5,7-9,17H,3,6H2,1-2H3,(H,18,19)/t9-/m1/s1
InChIKeyZPOCKHYMEVOLEC-SECBINFHSA-N
MW292.31 g/mol
LogP1.92
Rot. Bonds5

About ethyl (2R)-2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]propanoate

ethyl (2R)-2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]propanoate (PubChem CID 172548012) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is ethyl (2R)-2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]propanoate
PubChem CID172548012
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Nameethyl (2R)-2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]propanoate
SMILESCCOC(=O)[C@@H](C)NC(=O)Cc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C15H17FN2O3/c1-3-21-15(20)9(2)18-14(19)6-10-8-17-13-7-11(16)4-5-12(10)13/h4-5,7-9,17H,3,6H2,1-2H3,(H,18,19)/t9-/m1/s1
InChIKeyZPOCKHYMEVOLEC-SECBINFHSA-N
XLogP1.92
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethyl (2R)-2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]propanoate with MolForge

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Related Compounds

2-(6-fluoro-1H-indol-3-yl)-N-(1-phenylethyl)acetamide
CID 113209373
2-(5-fluoro-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110700223
2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]-2-methylpropanoic acid
CID 119187887
2-(6-fluoro-1H-indol-3-yl)-N,N-dipropylacetamide
CID 113209412
ethyl 2-(6-fluoro-1H-indol-3-yl)-2-hydroxyacetate
CID 115073267
N-(4-ethoxy-3-methylphenyl)-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 86877960
ethyl 2-[(6-fluoro-1H-indole-2-carbonyl)amino]propanoate
CID 16677025
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 49408649
(2R)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propanamide
CID 119280010
N-[2-(dimethylamino)ethyl]-2-(6-fluoro-1H-indol-3-yl)acetamide
CID 113209367
methyl 4-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]benzoate
CID 113209461
ethyl 2-(6-fluoro-1H-indol-3-yl)-2-oxoacetate
CID 44596115

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]propanoate?
The IUPAC name of ethyl (2R)-2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]propanoate (CID 172548012) is ethyl (2R)-2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]propanoate.
What is the SMILES notation for ethyl (2R)-2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]propanoate?
The canonical SMILES for ethyl (2R)-2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]propanoate is CCOC(=O)[C@@H](C)NC(=O)Cc1c[nH]c2cc(F)ccc12.
What is the InChIKey of ethyl (2R)-2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]propanoate?
The InChIKey is ZPOCKHYMEVOLEC-SECBINFHSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-3-21-15(20)9(2)18-14(19)6-10-8-17-13-7-11(16)4-5-12(10)13/h4-5,7-9,17H,3,6H2,1-2H3,(H,18,19)/t9-/m1/s1.
What are the key properties of ethyl (2R)-2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]propanoate?
ethyl (2R)-2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]propanoate has a molecular weight of 292.31 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]propanoate is sourced from PubChem (CID 172548012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).