ethyl (2S)-2-(methoxycarbonylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetate

C15H20N2O4 — CID 134873001

IUPACethyl (2S)-2-(methoxycarbonylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetate
SMILESCCOC(=O)[C@@H](NC(=O)OC)c1ccc2c(c1)CCN2C
InChIInChI=1S/C15H20N2O4/c1-4-21-14(18)13(16-15(19)20-3)11-5-6-12-10(9-11)7-8-17(12)2/h5-6,9,13H,4,7-8H2,1-3H3,(H,16,19)/t13-/m0/s1
InChIKeyNBUCDFZSBUYADJ-ZDUSSCGKSA-N
MW292.34 g/mol
LogP1.64
Rot. Bonds4

About ethyl (2S)-2-(methoxycarbonylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetate

ethyl (2S)-2-(methoxycarbonylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetate (PubChem CID 134873001) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is ethyl (2S)-2-(methoxycarbonylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetate.

Molecular Properties

Compound Nameethyl (2S)-2-(methoxycarbonylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetate
PubChem CID134873001
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Nameethyl (2S)-2-(methoxycarbonylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetate
SMILESCCOC(=O)[C@@H](NC(=O)OC)c1ccc2c(c1)CCN2C
InChIInChI=1S/C15H20N2O4/c1-4-21-14(18)13(16-15(19)20-3)11-5-6-12-10(9-11)7-8-17(12)2/h5-6,9,13H,4,7-8H2,1-3H3,(H,16,19)/t13-/m0/s1
InChIKeyNBUCDFZSBUYADJ-ZDUSSCGKSA-N
XLogP1.64
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-(methoxycarbonylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetate?
The IUPAC name of ethyl (2S)-2-(methoxycarbonylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetate (CID 134873001) is ethyl (2S)-2-(methoxycarbonylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetate.
What is the SMILES notation for ethyl (2S)-2-(methoxycarbonylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetate?
The canonical SMILES for ethyl (2S)-2-(methoxycarbonylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetate is CCOC(=O)[C@@H](NC(=O)OC)c1ccc2c(c1)CCN2C.
What is the InChIKey of ethyl (2S)-2-(methoxycarbonylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetate?
The InChIKey is NBUCDFZSBUYADJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-4-21-14(18)13(16-15(19)20-3)11-5-6-12-10(9-11)7-8-17(12)2/h5-6,9,13H,4,7-8H2,1-3H3,(H,16,19)/t13-/m0/s1.
What are the key properties of ethyl (2S)-2-(methoxycarbonylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetate?
ethyl (2S)-2-(methoxycarbonylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetate has a molecular weight of 292.34 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-(methoxycarbonylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetate is sourced from PubChem (CID 134873001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).