2-amino-5-(1,3-dimethylisoindol-2-yl)pentanoic acid

C15H20N2O2 — CID 177368256

IUPAC2-amino-5-(1,3-dimethylisoindol-2-yl)pentanoic acid
SMILESCc1c2ccccc2c(C)n1CCCC(N)C(=O)O
InChIInChI=1S/C15H20N2O2/c1-10-12-6-3-4-7-13(12)11(2)17(10)9-5-8-14(16)15(18)19/h3-4,6-7,14H,5,8-9,16H2,1-2H3,(H,18,19)
InChIKeyFVIHSCVHWQIREF-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.45
Rot. Bonds5

About 2-amino-5-(1,3-dimethylisoindol-2-yl)pentanoic acid

2-amino-5-(1,3-dimethylisoindol-2-yl)pentanoic acid (PubChem CID 177368256) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-amino-5-(1,3-dimethylisoindol-2-yl)pentanoic acid.

Molecular Properties

Compound Name2-amino-5-(1,3-dimethylisoindol-2-yl)pentanoic acid
PubChem CID177368256
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-amino-5-(1,3-dimethylisoindol-2-yl)pentanoic acid
SMILESCc1c2ccccc2c(C)n1CCCC(N)C(=O)O
InChIInChI=1S/C15H20N2O2/c1-10-12-6-3-4-7-13(12)11(2)17(10)9-5-8-14(16)15(18)19/h3-4,6-7,14H,5,8-9,16H2,1-2H3,(H,18,19)
InChIKeyFVIHSCVHWQIREF-UHFFFAOYSA-N
XLogP2.45
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid
CID 25205018
(2R)-2-amino-6-oxo-6-phenylhexanoic acid
CID 106702793
(2S)-2-aminopentanedioic acid;toluene
CID 67117620
2-amino-7-phenylheptanoic acid
CID 85132413
2,6-diaminoheptanedioic acid
CID 865
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
2-amino-3-(2-methylindazol-3-yl)propanoic acid
CID 83440834
2-amino-5-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)pentanoic acid
CID 3084726
2-amino-5-[3-(4-methyl-3-oxoquinoxalin-2-yl)indol-1-yl]pentanoic acid
CID 91388634
2-amino-5-(3-methylphenyl)pentanoic acid
CID 69496067
(2S)-2,6-diaminohexanoic acid;2-phenylpropanoic acid
CID 175701215
2-amino-6-phenylsulfanylhexanoic acid
CID 3724865

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(1,3-dimethylisoindol-2-yl)pentanoic acid?
The IUPAC name of 2-amino-5-(1,3-dimethylisoindol-2-yl)pentanoic acid (CID 177368256) is 2-amino-5-(1,3-dimethylisoindol-2-yl)pentanoic acid.
What is the SMILES notation for 2-amino-5-(1,3-dimethylisoindol-2-yl)pentanoic acid?
The canonical SMILES for 2-amino-5-(1,3-dimethylisoindol-2-yl)pentanoic acid is Cc1c2ccccc2c(C)n1CCCC(N)C(=O)O.
What is the InChIKey of 2-amino-5-(1,3-dimethylisoindol-2-yl)pentanoic acid?
The InChIKey is FVIHSCVHWQIREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10-12-6-3-4-7-13(12)11(2)17(10)9-5-8-14(16)15(18)19/h3-4,6-7,14H,5,8-9,16H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-5-(1,3-dimethylisoindol-2-yl)pentanoic acid?
2-amino-5-(1,3-dimethylisoindol-2-yl)pentanoic acid has a molecular weight of 260.34 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(1,3-dimethylisoindol-2-yl)pentanoic acid is sourced from PubChem (CID 177368256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).