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

C15H20N2O2 — CID 107236470

IUPAC4-amino-5-(1,3-dimethylindol-2-yl)pentanoic acid
SMILESCc1c(CC(N)CCC(=O)O)n(C)c2ccccc12
InChIInChI=1S/C15H20N2O2/c1-10-12-5-3-4-6-13(12)17(2)14(10)9-11(16)7-8-15(18)19/h3-6,11H,7-9,16H2,1-2H3,(H,18,19)
InChIKeyXUSOAKYTZLCKHS-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.22
Rot. Bonds5

About 4-amino-5-(1,3-dimethylindol-2-yl)pentanoic acid

4-amino-5-(1,3-dimethylindol-2-yl)pentanoic acid (PubChem CID 107236470) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-amino-5-(1,3-dimethylindol-2-yl)pentanoic acid.

Molecular Properties

Compound Name4-amino-5-(1,3-dimethylindol-2-yl)pentanoic acid
PubChem CID107236470
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-amino-5-(1,3-dimethylindol-2-yl)pentanoic acid
SMILESCc1c(CC(N)CCC(=O)O)n(C)c2ccccc12
InChIInChI=1S/C15H20N2O2/c1-10-12-5-3-4-6-13(12)17(2)14(10)9-11(16)7-8-15(18)19/h3-6,11H,7-9,16H2,1-2H3,(H,18,19)
InChIKeyXUSOAKYTZLCKHS-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

4-(1,3-dimethylindol-2-yl)butan-2-one
CID 14147978
(4S)-4-amino-5-naphthalen-1-ylpentanoic acid
CID 66644807
3-[(1,3-dimethylindol-2-yl)methyl-ethylamino]butanoic acid
CID 107236506
5-[(1,3-dimethylindol-2-yl)methylamino]pentanamide
CID 106233704
2-(3-methyl-1-propan-2-ylindol-2-yl)acetic acid
CID 83860122
3-[(1,3-dimethylindol-2-yl)methyl-ethylamino]-2-methylpropanoic acid
CID 107236504
4-amino-5-(1H-indol-3-yl)pentanoic acid
CID 53414125
2-(methoxymethyl)-1,3-dimethylindole
CID 101050705
2-[cyclopropylmethyl-[(1,3-dimethylindol-2-yl)methyl]amino]acetic acid
CID 107236494
3-[(1,3-dimethylindol-2-yl)methylamino]-3-methylbutanamide
CID 106095875
2-(3-chloro-1-methylindol-2-yl)acetic acid
CID 83891410
4-(1,3-dimethylindol-2-yl)-N-methylbutan-2-amine
CID 107236533

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(1,3-dimethylindol-2-yl)pentanoic acid?
The IUPAC name of 4-amino-5-(1,3-dimethylindol-2-yl)pentanoic acid (CID 107236470) is 4-amino-5-(1,3-dimethylindol-2-yl)pentanoic acid.
What is the SMILES notation for 4-amino-5-(1,3-dimethylindol-2-yl)pentanoic acid?
The canonical SMILES for 4-amino-5-(1,3-dimethylindol-2-yl)pentanoic acid is Cc1c(CC(N)CCC(=O)O)n(C)c2ccccc12.
What is the InChIKey of 4-amino-5-(1,3-dimethylindol-2-yl)pentanoic acid?
The InChIKey is XUSOAKYTZLCKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10-12-5-3-4-6-13(12)17(2)14(10)9-11(16)7-8-15(18)19/h3-6,11H,7-9,16H2,1-2H3,(H,18,19).
What are the key properties of 4-amino-5-(1,3-dimethylindol-2-yl)pentanoic acid?
4-amino-5-(1,3-dimethylindol-2-yl)pentanoic acid has a molecular weight of 260.34 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(1,3-dimethylindol-2-yl)pentanoic acid is sourced from PubChem (CID 107236470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).