methyl 3-amino-2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1H-indol-3-yl]propanoate

C18H24N2O4 — CID 158232060

IUPACmethyl 3-amino-2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1H-indol-3-yl]propanoate
SMILESCOC(=O)C(CN)c1c[nH]c2ccc(CC(=O)OC(C)(C)C)cc12
InChIInChI=1S/C18H24N2O4/c1-18(2,3)24-16(21)8-11-5-6-15-12(7-11)14(10-20-15)13(9-19)17(22)23-4/h5-7,10,13,20H,8-9,19H2,1-4H3
InChIKeyGEMODSZXFZNMFT-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.27
Rot. Bonds5

About methyl 3-amino-2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1H-indol-3-yl]propanoate

methyl 3-amino-2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1H-indol-3-yl]propanoate (PubChem CID 158232060) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is methyl 3-amino-2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1H-indol-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-amino-2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1H-indol-3-yl]propanoate
PubChem CID158232060
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Namemethyl 3-amino-2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1H-indol-3-yl]propanoate
SMILESCOC(=O)C(CN)c1c[nH]c2ccc(CC(=O)OC(C)(C)C)cc12
InChIInChI=1S/C18H24N2O4/c1-18(2,3)24-16(21)8-11-5-6-15-12(7-11)14(10-20-15)13(9-19)17(22)23-4/h5-7,10,13,20H,8-9,19H2,1-4H3
InChIKeyGEMODSZXFZNMFT-UHFFFAOYSA-N
XLogP2.27
TPSA94.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-amino-2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1H-indol-3-yl]propanoate with MolForge

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Related Compounds

methyl (2S)-2-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1H-indol-3-yl]-3-nitropropanoate
CID 157107690
methyl 3-amino-2-(1H-indol-3-yl)propanoate
CID 11470824
tert-butyl 3-[5-(2-ethoxy-2-oxoethyl)-1H-indol-3-yl]propanoate
CID 121438128
tert-butyl N-[5-(2-hydroxypropyl)-1H-indol-3-yl]carbamate
CID 167467699
tert-butyl 2-[4-[1-(hydroxyamino)ethyl]phenyl]acetate
CID 118421994
(2S)-2-amino-2-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]propanoic acid
CID 10803655
tert-butyl 3-[5-[2-[[(4-methylnaphthalen-1-yl)-phenylmethyl]amino]-2-oxoethyl]-1H-indol-3-yl]propanoate
CID 121438620
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-prop-2-enoxy-1H-indol-3-yl)propanoate
CID 138482456
8-O-tert-butyl 1-O-methyl 2-(1-methoxycarbonylindol-3-yl)octanedioate;2-(1H-indol-3-yl)-8-[(2-methylpropan-2-yl)oxy]-8-oxooctanoic acid
CID 157221097
2-(1H-indol-3-yl)-8-[(2-methylpropan-2-yl)oxy]-8-oxooctanoic acid
CID 152857532
ethyl 2-(5-acetamido-1H-indol-3-yl)butanoate
CID 102584291
tert-butyl 3-[5-[2-[[1-(2-ethoxyphenyl)-3-methylbutyl]amino]-2-oxoethyl]-1H-indol-3-yl]propanoate
CID 121438149

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1H-indol-3-yl]propanoate?
The IUPAC name of methyl 3-amino-2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1H-indol-3-yl]propanoate (CID 158232060) is methyl 3-amino-2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1H-indol-3-yl]propanoate.
What is the SMILES notation for methyl 3-amino-2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1H-indol-3-yl]propanoate?
The canonical SMILES for methyl 3-amino-2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1H-indol-3-yl]propanoate is COC(=O)C(CN)c1c[nH]c2ccc(CC(=O)OC(C)(C)C)cc12.
What is the InChIKey of methyl 3-amino-2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1H-indol-3-yl]propanoate?
The InChIKey is GEMODSZXFZNMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-18(2,3)24-16(21)8-11-5-6-15-12(7-11)14(10-20-15)13(9-19)17(22)23-4/h5-7,10,13,20H,8-9,19H2,1-4H3.
What are the key properties of methyl 3-amino-2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1H-indol-3-yl]propanoate?
methyl 3-amino-2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1H-indol-3-yl]propanoate has a molecular weight of 332.40 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-[5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1H-indol-3-yl]propanoate is sourced from PubChem (CID 158232060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).