methyl 3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate

C14H16N2O3 — CID 2539049

IUPACmethyl 3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C14H16N2O3/c1-19-14(18)6-7-15-13(17)8-10-9-16-12-5-3-2-4-11(10)12/h2-5,9,16H,6-8H2,1H3,(H,15,17)
InChIKeyVHJNTTZNMCIWEV-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.39
Rot. Bonds5

About methyl 3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate

methyl 3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate (PubChem CID 2539049) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is methyl 3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate
PubChem CID2539049
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Namemethyl 3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C14H16N2O3/c1-19-14(18)6-7-15-13(17)8-10-9-16-12-5-3-2-4-11(10)12/h2-5,9,16H,6-8H2,1H3,(H,15,17)
InChIKeyVHJNTTZNMCIWEV-UHFFFAOYSA-N
XLogP1.39
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-methoxyethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7960167
methyl 3-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]sulfanylpropanoate
CID 9344556
N-cyclopropyl-3-[[2-(1H-indol-3-yl)acetyl]amino]propanamide
CID 79382425
hydroxylamine;6-[[2-(1H-indol-3-yl)acetyl]amino]hexanoic acid
CID 70007907
2-(1H-indol-3-yl)-N-(2-methoxy-2-methylpropyl)acetamide
CID 115661182
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 4796568
N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide
CID 39248120
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 78912609
3-(1H-indol-3-yl)-2-[(3-methoxy-3-oxopropyl)amino]propanoic acid
CID 123578433
N-(1H-indol-3-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 110357464
N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 26933063
N-(4,4-diethoxybutyl)-2-(1H-indol-3-yl)acetamide
CID 23660155

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate?
The IUPAC name of methyl 3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate (CID 2539049) is methyl 3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate?
The canonical SMILES for methyl 3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate is COC(=O)CCNC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of methyl 3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate?
The InChIKey is VHJNTTZNMCIWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-19-14(18)6-7-15-13(17)8-10-9-16-12-5-3-2-4-11(10)12/h2-5,9,16H,6-8H2,1H3,(H,15,17).
What are the key properties of methyl 3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate?
methyl 3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate has a molecular weight of 260.29 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate is sourced from PubChem (CID 2539049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).