methyl (2R)-2-(2-phenyl-1H-indol-3-yl)propanoate

C18H17NO2 — CID 146165176

IUPACmethyl (2R)-2-(2-phenyl-1H-indol-3-yl)propanoate
SMILESCOC(=O)[C@H](C)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C18H17NO2/c1-12(18(20)21-2)16-14-10-6-7-11-15(14)19-17(16)13-8-4-3-5-9-13/h3-12,19H,1-2H3/t12-/m1/s1
InChIKeyJKINLILQMXMHDZ-GFCCVEGCSA-N
MW279.34 g/mol
LogP4.11
Rot. Bonds3

About methyl (2R)-2-(2-phenyl-1H-indol-3-yl)propanoate

methyl (2R)-2-(2-phenyl-1H-indol-3-yl)propanoate (PubChem CID 146165176) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl (2R)-2-(2-phenyl-1H-indol-3-yl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(2-phenyl-1H-indol-3-yl)propanoate
PubChem CID146165176
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Namemethyl (2R)-2-(2-phenyl-1H-indol-3-yl)propanoate
SMILESCOC(=O)[C@H](C)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C18H17NO2/c1-12(18(20)21-2)16-14-10-6-7-11-15(14)19-17(16)13-8-4-3-5-9-13/h3-12,19H,1-2H3/t12-/m1/s1
InChIKeyJKINLILQMXMHDZ-GFCCVEGCSA-N
XLogP4.11
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

dimethyl 2-(2-methyl-1H-indol-3-yl)propanedioate
CID 10967266
methyl 2-acetamido-3-(2-phenyl-1H-indol-3-yl)propanoate
CID 102519475
[2-phenyl-2-(2-phenyl-1H-indol-3-yl)ethyl]urea
CID 118908898
(1S)-1-(2-phenyl-1H-indol-3-yl)propan-1-ol
CID 82758235
methyl (2S)-2-amino-2-(2-methyl-1H-indol-3-yl)acetate;hydrochloride
CID 171206867
3-(1,2-dihydroxy-3-methoxy-3-oxopropyl)-1H-indole-2-carboxylic acid
CID 171864883
2-chloro-1-(2-phenyl-1H-indol-3-yl)propan-1-one
CID 43140038
methyl 3-(2-phenyl-1H-indol-3-yl)prop-2-enoate
CID 72733964
methyl (2S)-2-[(2-acetamidoacetyl)amino]-3-(2-phenyl-1H-indol-3-yl)propanoate
CID 102236809
1-(5-methoxy-2-phenyl-1H-indol-3-yl)ethanamine
CID 82024001
2-[(2-phenyl-1H-indol-3-yl)sulfanyl]propanoic acid
CID 71364656
9H-carbazole;carbonic acid
CID 67577328

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(2-phenyl-1H-indol-3-yl)propanoate?
The IUPAC name of methyl (2R)-2-(2-phenyl-1H-indol-3-yl)propanoate (CID 146165176) is methyl (2R)-2-(2-phenyl-1H-indol-3-yl)propanoate.
What is the SMILES notation for methyl (2R)-2-(2-phenyl-1H-indol-3-yl)propanoate?
The canonical SMILES for methyl (2R)-2-(2-phenyl-1H-indol-3-yl)propanoate is COC(=O)[C@H](C)c1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of methyl (2R)-2-(2-phenyl-1H-indol-3-yl)propanoate?
The InChIKey is JKINLILQMXMHDZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H17NO2/c1-12(18(20)21-2)16-14-10-6-7-11-15(14)19-17(16)13-8-4-3-5-9-13/h3-12,19H,1-2H3/t12-/m1/s1.
What are the key properties of methyl (2R)-2-(2-phenyl-1H-indol-3-yl)propanoate?
methyl (2R)-2-(2-phenyl-1H-indol-3-yl)propanoate has a molecular weight of 279.34 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(2-phenyl-1H-indol-3-yl)propanoate is sourced from PubChem (CID 146165176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).