1H-indol-3-yl 4-aminopentanoate

C13H16N2O2 — CID 57023329

IUPAC1H-indol-3-yl 4-aminopentanoate
SMILESCC(N)CCC(=O)Oc1c[nH]c2ccccc12
InChIInChI=1S/C13H16N2O2/c1-9(14)6-7-13(16)17-12-8-15-11-5-3-2-4-10(11)12/h2-5,8-9,15H,6-7,14H2,1H3
InChIKeyCBNCADMQZNJPSS-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.20
Rot. Bonds4

About 1H-indol-3-yl 4-aminopentanoate

1H-indol-3-yl 4-aminopentanoate (PubChem CID 57023329) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1H-indol-3-yl 4-aminopentanoate.

Molecular Properties

Compound Name1H-indol-3-yl 4-aminopentanoate
PubChem CID57023329
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1H-indol-3-yl 4-aminopentanoate
SMILESCC(N)CCC(=O)Oc1c[nH]c2ccccc12
InChIInChI=1S/C13H16N2O2/c1-9(14)6-7-13(16)17-12-8-15-11-5-3-2-4-10(11)12/h2-5,8-9,15H,6-7,14H2,1H3
InChIKeyCBNCADMQZNJPSS-UHFFFAOYSA-N
XLogP2.20
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-indol-3-yl)butan-2-amine;4-(1H-indol-3-yl)butan-2-one
CID 158100790
ethyl 2-[[(2S)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]acetate
CID 58406243
1H-indol-3-yl 1H-indole-3-carboxylate
CID 90824534
3-amino-1-(1H-indol-3-yl)butan-1-one
CID 116915601
ethyl (2S)-3-(1H-indol-3-yl)-2-methylpropanoate
CID 170617475
ethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate
CID 688583
(4S)-4-amino-5-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]oxy-5-oxopentaneperoxoic acid;hydrochloride
CID 142779264
3-methylbutyl 2-amino-3-(1H-indol-3-yl)propanoate
CID 22597671
ethyl 2-amino-3-(1H-indol-3-yl)propanoate chloride
CID 16637454
(4S)-8-amino-N-[(2R)-5-[[(2S)-5-[[(4S)-8-amino-1-[[(2R)-1-(1H-indol-3-yl)-5-oxohexan-2-yl]amino]-1-oxooctan-4-yl]amino]-5-oxopentan-2-yl]amino]-1-(1H-indol-3-yl)-5-oxopentan-2-yl]-4-[[(4S)-4-aminopentanoyl]amino]octanamide
CID 58709641
1-(1H-indol-3-yl)propan-2-amine;dihydrochloride
CID 141487070
1-N-(1H-indol-3-yl)butane-1,3-diamine
CID 115199018

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl 4-aminopentanoate?
The IUPAC name of 1H-indol-3-yl 4-aminopentanoate (CID 57023329) is 1H-indol-3-yl 4-aminopentanoate.
What is the SMILES notation for 1H-indol-3-yl 4-aminopentanoate?
The canonical SMILES for 1H-indol-3-yl 4-aminopentanoate is CC(N)CCC(=O)Oc1c[nH]c2ccccc12.
What is the InChIKey of 1H-indol-3-yl 4-aminopentanoate?
The InChIKey is CBNCADMQZNJPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9(14)6-7-13(16)17-12-8-15-11-5-3-2-4-10(11)12/h2-5,8-9,15H,6-7,14H2,1H3.
What are the key properties of 1H-indol-3-yl 4-aminopentanoate?
1H-indol-3-yl 4-aminopentanoate has a molecular weight of 232.28 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl 4-aminopentanoate is sourced from PubChem (CID 57023329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).