5-(methylamino)-5-(2-methyl-1H-indol-3-yl)pentanoic acid

C15H20N2O2 — CID 116953123

IUPAC5-(methylamino)-5-(2-methyl-1H-indol-3-yl)pentanoic acid
SMILESCNC(CCCC(=O)O)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C15H20N2O2/c1-10-15(11-6-3-4-7-12(11)17-10)13(16-2)8-5-9-14(18)19/h3-4,6-7,13,16-17H,5,8-9H2,1-2H3,(H,18,19)
InChIKeyFAMUWWOOELLNAR-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.99
Rot. Bonds6

About 5-(methylamino)-5-(2-methyl-1H-indol-3-yl)pentanoic acid

5-(methylamino)-5-(2-methyl-1H-indol-3-yl)pentanoic acid (PubChem CID 116953123) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-(methylamino)-5-(2-methyl-1H-indol-3-yl)pentanoic acid.

Molecular Properties

Compound Name5-(methylamino)-5-(2-methyl-1H-indol-3-yl)pentanoic acid
PubChem CID116953123
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name5-(methylamino)-5-(2-methyl-1H-indol-3-yl)pentanoic acid
SMILESCNC(CCCC(=O)O)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C15H20N2O2/c1-10-15(11-6-3-4-7-12(11)17-10)13(16-2)8-5-9-14(18)19/h3-4,6-7,13,16-17H,5,8-9H2,1-2H3,(H,18,19)
InChIKeyFAMUWWOOELLNAR-UHFFFAOYSA-N
XLogP2.99
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-methyl-1H-indole-3-carbonyl)amino]hexanoic acid
CID 82845531
2-methoxy-2-(2-methyl-1H-indol-3-yl)acetic acid
CID 70231951
(E)-6-(2-methyl-1H-indol-3-yl)hex-5-enoic acid
CID 82293705
N'-cyclopropyl-N-methyl-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
CID 116950622
4-(2-methyl-1H-indol-3-yl)octan-2-one
CID 102114646
4-[(2-methyl-1H-indol-3-yl)methyl-propan-2-ylamino]butanoic acid
CID 65058874
dimethyl 2-(2-methyl-1H-indol-3-yl)propanedioate
CID 10967266
(4R)-4-(2-methyl-1H-indol-3-yl)-4-phenylbutan-2-one
CID 101252963
(2S)-2-(methylamino)-3-(2-methyl-1H-indol-3-yl)propanoic acid
CID 67628327
(2S)-2-amino-3-(2-methyl-1H-indol-3-yl)hexanoic acid
CID 140944818
(E)-6-(2-methyl-1H-indol-3-yl)hept-5-enoic acid
CID 82299974
2-amino-2-(2-methyl-1H-indol-3-yl)acetamide
CID 116850760

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-5-(2-methyl-1H-indol-3-yl)pentanoic acid?
The IUPAC name of 5-(methylamino)-5-(2-methyl-1H-indol-3-yl)pentanoic acid (CID 116953123) is 5-(methylamino)-5-(2-methyl-1H-indol-3-yl)pentanoic acid.
What is the SMILES notation for 5-(methylamino)-5-(2-methyl-1H-indol-3-yl)pentanoic acid?
The canonical SMILES for 5-(methylamino)-5-(2-methyl-1H-indol-3-yl)pentanoic acid is CNC(CCCC(=O)O)c1c(C)[nH]c2ccccc12.
What is the InChIKey of 5-(methylamino)-5-(2-methyl-1H-indol-3-yl)pentanoic acid?
The InChIKey is FAMUWWOOELLNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10-15(11-6-3-4-7-12(11)17-10)13(16-2)8-5-9-14(18)19/h3-4,6-7,13,16-17H,5,8-9H2,1-2H3,(H,18,19).
What are the key properties of 5-(methylamino)-5-(2-methyl-1H-indol-3-yl)pentanoic acid?
5-(methylamino)-5-(2-methyl-1H-indol-3-yl)pentanoic acid has a molecular weight of 260.34 g/mol, XLogP of 2.99, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-5-(2-methyl-1H-indol-3-yl)pentanoic acid is sourced from PubChem (CID 116953123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).