ethyl 2-[[(2S)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]acetate

C16H20N2O3 — CID 58406243

IUPACethyl 2-[[(2S)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)[C@@H](C)Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H20N2O3/c1-3-21-15(19)10-18-16(20)11(2)8-12-9-17-14-7-5-4-6-13(12)14/h4-7,9,11,17H,3,8,10H2,1-2H3,(H,18,20)/t11-/m0/s1
InChIKeyVIGLDWRLYBVABX-NSHDSACASA-N
MW288.35 g/mol
LogP2.03
Rot. Bonds6

About ethyl 2-[[(2S)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]acetate

ethyl 2-[[(2S)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]acetate (PubChem CID 58406243) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is ethyl 2-[[(2S)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(2S)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]acetate
PubChem CID58406243
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Nameethyl 2-[[(2S)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)[C@@H](C)Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H20N2O3/c1-3-21-15(19)10-18-16(20)11(2)8-12-9-17-14-7-5-4-6-13(12)14/h4-7,9,11,17H,3,8,10H2,1-2H3,(H,18,20)/t11-/m0/s1
InChIKeyVIGLDWRLYBVABX-NSHDSACASA-N
XLogP2.03
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]acetate
CID 101206740
ethyl (2S)-3-(1H-indol-3-yl)-2-methylpropanoate
CID 170617475
ethyl 2-[[(2R)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate
CID 10622194
3-(1H-indol-3-yl)-2-methyl-N-(2-methyl-2-phenylpropyl)propanamide
CID 70207530
methyl 2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]acetate;hydrochloride
CID 91978993
ethane;methyl 3-(1H-indol-3-yl)-2-methylpropanoate
CID 169189360
3-(1H-indol-3-yl)-2-methyl-N-(2-pyrrol-1-ylethyl)propanamide
CID 70159109
ethyl 3-(1H-indol-3-ylmethylamino)-3-oxopropanoate
CID 115138557
tert-butyl (2S)-3-(1H-indol-3-yl)-2-methylpropanoate
CID 170617478
ethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate
CID 688583
N-[(3,4-dihydroxyphenyl)methyl]-3-(1H-indol-3-yl)-2-methylpropanamide
CID 70160522
ethyl 2-amino-3-(1H-indol-3-yl)propanoate chloride
CID 16637454

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(2S)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]acetate?
The IUPAC name of ethyl 2-[[(2S)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]acetate (CID 58406243) is ethyl 2-[[(2S)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[(2S)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[(2S)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]acetate is CCOC(=O)CNC(=O)[C@@H](C)Cc1c[nH]c2ccccc12.
What is the InChIKey of ethyl 2-[[(2S)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]acetate?
The InChIKey is VIGLDWRLYBVABX-NSHDSACASA-N. The full InChI is InChI=1S/C16H20N2O3/c1-3-21-15(19)10-18-16(20)11(2)8-12-9-17-14-7-5-4-6-13(12)14/h4-7,9,11,17H,3,8,10H2,1-2H3,(H,18,20)/t11-/m0/s1.
What are the key properties of ethyl 2-[[(2S)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]acetate?
ethyl 2-[[(2S)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]acetate has a molecular weight of 288.35 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(2S)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]acetate is sourced from PubChem (CID 58406243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).