[(1R)-2-amino-2-oxo-1-phenylethyl] 1-methylindole-3-carboxylate

C18H16N2O3 — CID 41471077

IUPAC[(1R)-2-amino-2-oxo-1-phenylethyl] 1-methylindole-3-carboxylate
SMILESCn1cc(C(=O)O[C@@H](C(N)=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C18H16N2O3/c1-20-11-14(13-9-5-6-10-15(13)20)18(22)23-16(17(19)21)12-7-3-2-4-8-12/h2-11,16H,1H3,(H2,19,21)/t16-/m1/s1
InChIKeyGRUJTFJIGGOMMW-MRXNPFEDSA-N
MW308.34 g/mol
LogP2.56
Rot. Bonds4

About [(1R)-2-amino-2-oxo-1-phenylethyl] 1-methylindole-3-carboxylate

[(1R)-2-amino-2-oxo-1-phenylethyl] 1-methylindole-3-carboxylate (PubChem CID 41471077) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is [(1R)-2-amino-2-oxo-1-phenylethyl] 1-methylindole-3-carboxylate.

Molecular Properties

Compound Name[(1R)-2-amino-2-oxo-1-phenylethyl] 1-methylindole-3-carboxylate
PubChem CID41471077
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name[(1R)-2-amino-2-oxo-1-phenylethyl] 1-methylindole-3-carboxylate
SMILESCn1cc(C(=O)O[C@@H](C(N)=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C18H16N2O3/c1-20-11-14(13-9-5-6-10-15(13)20)18(22)23-16(17(19)21)12-7-3-2-4-8-12/h2-11,16H,1H3,(H2,19,21)/t16-/m1/s1
InChIKeyGRUJTFJIGGOMMW-MRXNPFEDSA-N
XLogP2.56
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-amino-1-oxopropan-2-yl] 1-methylindole-3-carboxylate
CID 40518343
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 1-methylindole-3-carboxylate
CID 46827409
chloro 1-methylindole-3-carboxylate
CID 69132264
2-amino-3-(1-methylindol-3-yl)-3-oxopropanamide
CID 18385421
(2-amino-2-oxo-1-phenylethyl) 2,5-dimethylbenzoate
CID 42886743
[(2R)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] 1-methylindole-3-carboxylate
CID 8817690
ethyl 3-(1-methylindol-3-yl)-3-oxo-2-phenylpropanoate
CID 132558109
methyl (2S)-2-[(1-methylindole-3-carbonyl)amino]propanoate
CID 47337364
ethane;2-(1-methylindol-3-yl)-2-oxoacetic acid
CID 91016552
[(1S)-2-amino-2-oxo-1-phenylethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 51485480
(4-amino-4-oxo-1-piperidin-4-ylbutyl) 1-methylindole-3-carboxylate
CID 70141162
1-methylindole-3-carbothioic S-acid
CID 116918837

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-amino-2-oxo-1-phenylethyl] 1-methylindole-3-carboxylate?
The IUPAC name of [(1R)-2-amino-2-oxo-1-phenylethyl] 1-methylindole-3-carboxylate (CID 41471077) is [(1R)-2-amino-2-oxo-1-phenylethyl] 1-methylindole-3-carboxylate.
What is the SMILES notation for [(1R)-2-amino-2-oxo-1-phenylethyl] 1-methylindole-3-carboxylate?
The canonical SMILES for [(1R)-2-amino-2-oxo-1-phenylethyl] 1-methylindole-3-carboxylate is Cn1cc(C(=O)O[C@@H](C(N)=O)c2ccccc2)c2ccccc21.
What is the InChIKey of [(1R)-2-amino-2-oxo-1-phenylethyl] 1-methylindole-3-carboxylate?
The InChIKey is GRUJTFJIGGOMMW-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-20-11-14(13-9-5-6-10-15(13)20)18(22)23-16(17(19)21)12-7-3-2-4-8-12/h2-11,16H,1H3,(H2,19,21)/t16-/m1/s1.
What are the key properties of [(1R)-2-amino-2-oxo-1-phenylethyl] 1-methylindole-3-carboxylate?
[(1R)-2-amino-2-oxo-1-phenylethyl] 1-methylindole-3-carboxylate has a molecular weight of 308.34 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-amino-2-oxo-1-phenylethyl] 1-methylindole-3-carboxylate is sourced from PubChem (CID 41471077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).