4-amino-5-(1H-indol-3-yl)pentanoic acid

C13H16N2O2 — CID 53414125

IUPAC4-amino-5-(1H-indol-3-yl)pentanoic acid
SMILESNC(CCC(=O)O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C13H16N2O2/c14-10(5-6-13(16)17)7-9-8-15-12-4-2-1-3-11(9)12/h1-4,8,10,15H,5-7,14H2,(H,16,17)
InChIKeyQJKGTQZAVYBRGG-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.90
Rot. Bonds5

About 4-amino-5-(1H-indol-3-yl)pentanoic acid

4-amino-5-(1H-indol-3-yl)pentanoic acid (PubChem CID 53414125) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-amino-5-(1H-indol-3-yl)pentanoic acid.

Molecular Properties

Compound Name4-amino-5-(1H-indol-3-yl)pentanoic acid
PubChem CID53414125
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name4-amino-5-(1H-indol-3-yl)pentanoic acid
SMILESNC(CCC(=O)O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C13H16N2O2/c14-10(5-6-13(16)17)7-9-8-15-12-4-2-1-3-11(9)12/h1-4,8,10,15H,5-7,14H2,(H,16,17)
InChIKeyQJKGTQZAVYBRGG-UHFFFAOYSA-N
XLogP1.90
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopentanedioic acid
CID 70266557
(2S)-2-amino-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid
CID 162642150
1-(1H-indol-3-yl)-5-iodopentan-2-amine
CID 130234748
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid
CID 6305
CID 131876423
CID 131876423
(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;manganese
CID 159424306
CID 70188356
CID 70188356
2-amino-3-(1H-indol-3-yl)propanoic acid;gold
CID 175305655
2-amino-3-(1H-indol-3-yl)propanoic acid;dihydrate
CID 86010535
4-amino-5-[[3-carboxy-1-[[4-carboxy-1-[[1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 18263767
4-amino-4-(1H-indol-3-yl)butanoic acid
CID 82614837
(4S)-4-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-5-oxopentanoic acid
CID 145458355

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(1H-indol-3-yl)pentanoic acid?
The IUPAC name of 4-amino-5-(1H-indol-3-yl)pentanoic acid (CID 53414125) is 4-amino-5-(1H-indol-3-yl)pentanoic acid.
What is the SMILES notation for 4-amino-5-(1H-indol-3-yl)pentanoic acid?
The canonical SMILES for 4-amino-5-(1H-indol-3-yl)pentanoic acid is NC(CCC(=O)O)Cc1c[nH]c2ccccc12.
What is the InChIKey of 4-amino-5-(1H-indol-3-yl)pentanoic acid?
The InChIKey is QJKGTQZAVYBRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c14-10(5-6-13(16)17)7-9-8-15-12-4-2-1-3-11(9)12/h1-4,8,10,15H,5-7,14H2,(H,16,17).
What are the key properties of 4-amino-5-(1H-indol-3-yl)pentanoic acid?
4-amino-5-(1H-indol-3-yl)pentanoic acid has a molecular weight of 232.28 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(1H-indol-3-yl)pentanoic acid is sourced from PubChem (CID 53414125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).