2-[(1-methylindol-3-yl)methylamino]pentanoic acid

C15H20N2O2 — CID 65054985

IUPAC2-[(1-methylindol-3-yl)methylamino]pentanoic acid
SMILESCCCC(NCc1cn(C)c2ccccc12)C(=O)O
InChIInChI=1S/C15H20N2O2/c1-3-6-13(15(18)19)16-9-11-10-17(2)14-8-5-4-7-12(11)14/h4-5,7-8,10,13,16H,3,6,9H2,1-2H3,(H,18,19)
InChIKeyKCEHLAWSRSLMJQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.52
Rot. Bonds6

About 2-[(1-methylindol-3-yl)methylamino]pentanoic acid

2-[(1-methylindol-3-yl)methylamino]pentanoic acid (PubChem CID 65054985) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[(1-methylindol-3-yl)methylamino]pentanoic acid.

Molecular Properties

Compound Name2-[(1-methylindol-3-yl)methylamino]pentanoic acid
PubChem CID65054985
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-[(1-methylindol-3-yl)methylamino]pentanoic acid
SMILESCCCC(NCc1cn(C)c2ccccc12)C(=O)O
InChIInChI=1S/C15H20N2O2/c1-3-6-13(15(18)19)16-9-11-10-17(2)14-8-5-4-7-12(11)14/h4-5,7-8,10,13,16H,3,6,9H2,1-2H3,(H,18,19)
InChIKeyKCEHLAWSRSLMJQ-UHFFFAOYSA-N
XLogP2.52
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(chloroamino)-3-(1-methylindol-3-yl)propanoic acid
CID 155104980
(2S)-3-(1H-indol-3-yl)-2-[(1-methylindol-3-yl)methylamino]propanoic acid
CID 124815638
(2R)-2-(methylamino)-3-(1-methylindol-3-yl)propanoic acid
CID 71052009
methyl 4-methyl-2-[(1-methylindol-3-yl)methylamino]pentanoate
CID 65067382
fermium;(2S)-3-(1-methylindol-3-yl)-2-(oxomethylamino)propanoic acid
CID 168915547
(2R)-2-acetamido-3-(1-methylindol-3-yl)propanoic acid
CID 95466654
3-amino-2-methyl-N-[(1-methylindol-3-yl)methyl]propanamide
CID 115153662
(2S)-5,5-dimethyl-2-[(1-methylindol-4-yl)methylamino]hexanoic acid
CID 167496449
(2R)-2-(ethoxycarbonylamino)-3-(1-methylindol-3-yl)propanoic acid
CID 126483278
N-[(1-methylindol-3-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 115158236
(2R)-2-[(2-aminoacetyl)amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
CID 126483330
2-(1-methylindol-3-yl)-N-propan-2-ylacetamide
CID 13010552

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylindol-3-yl)methylamino]pentanoic acid?
The IUPAC name of 2-[(1-methylindol-3-yl)methylamino]pentanoic acid (CID 65054985) is 2-[(1-methylindol-3-yl)methylamino]pentanoic acid.
What is the SMILES notation for 2-[(1-methylindol-3-yl)methylamino]pentanoic acid?
The canonical SMILES for 2-[(1-methylindol-3-yl)methylamino]pentanoic acid is CCCC(NCc1cn(C)c2ccccc12)C(=O)O.
What is the InChIKey of 2-[(1-methylindol-3-yl)methylamino]pentanoic acid?
The InChIKey is KCEHLAWSRSLMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-6-13(15(18)19)16-9-11-10-17(2)14-8-5-4-7-12(11)14/h4-5,7-8,10,13,16H,3,6,9H2,1-2H3,(H,18,19).
What are the key properties of 2-[(1-methylindol-3-yl)methylamino]pentanoic acid?
2-[(1-methylindol-3-yl)methylamino]pentanoic acid has a molecular weight of 260.34 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylindol-3-yl)methylamino]pentanoic acid is sourced from PubChem (CID 65054985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).