2-[(7-ethyl-1H-indol-3-yl)methylamino]-2-methylpentanoic acid

C17H24N2O2 — CID 65055782

IUPAC2-[(7-ethyl-1H-indol-3-yl)methylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NCc1c[nH]c2c(CC)cccc12)C(=O)O
InChIInChI=1S/C17H24N2O2/c1-4-9-17(3,16(20)21)19-11-13-10-18-15-12(5-2)7-6-8-14(13)15/h6-8,10,18-19H,4-5,9,11H2,1-3H3,(H,20,21)
InChIKeyZAGVLRXIAJNYJJ-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.46
Rot. Bonds7

About 2-[(7-ethyl-1H-indol-3-yl)methylamino]-2-methylpentanoic acid

2-[(7-ethyl-1H-indol-3-yl)methylamino]-2-methylpentanoic acid (PubChem CID 65055782) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[(7-ethyl-1H-indol-3-yl)methylamino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(7-ethyl-1H-indol-3-yl)methylamino]-2-methylpentanoic acid
PubChem CID65055782
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-[(7-ethyl-1H-indol-3-yl)methylamino]-2-methylpentanoic acid
SMILESCCCC(C)(NCc1c[nH]c2c(CC)cccc12)C(=O)O
InChIInChI=1S/C17H24N2O2/c1-4-9-17(3,16(20)21)19-11-13-10-18-15-12(5-2)7-6-8-14(13)15/h6-8,10,18-19H,4-5,9,11H2,1-3H3,(H,20,21)
InChIKeyZAGVLRXIAJNYJJ-UHFFFAOYSA-N
XLogP3.46
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

Indole-3-Butyric Acid
CID 8617
L-Tryptophan
CID 6305
1H-Indole-3-propanoic acid
CID 3744
D-Tryptophan
CID 9060
Dl-Tryptophan
CID 1148
N-Acetyl-L-tryptophan
CID 700653
N-Acetyltryptophan
CID 2002
2-azaniumyl-3-(1H-indol-3-yl)propanoate
CID 4099458
Valyltryptophan
CID 168182
Hypaphorine
CID 442106
Golotimod
CID 6992140
(2S)-2-ammonio-3-(1H-indol-3-yl)propanoate
CID 6923516

Frequently Asked Questions

What is the IUPAC name of 2-[(7-ethyl-1H-indol-3-yl)methylamino]-2-methylpentanoic acid?
The IUPAC name of 2-[(7-ethyl-1H-indol-3-yl)methylamino]-2-methylpentanoic acid (CID 65055782) is 2-[(7-ethyl-1H-indol-3-yl)methylamino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(7-ethyl-1H-indol-3-yl)methylamino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(7-ethyl-1H-indol-3-yl)methylamino]-2-methylpentanoic acid is CCCC(C)(NCc1c[nH]c2c(CC)cccc12)C(=O)O.
What is the InChIKey of 2-[(7-ethyl-1H-indol-3-yl)methylamino]-2-methylpentanoic acid?
The InChIKey is ZAGVLRXIAJNYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-9-17(3,16(20)21)19-11-13-10-18-15-12(5-2)7-6-8-14(13)15/h6-8,10,18-19H,4-5,9,11H2,1-3H3,(H,20,21).
What are the key properties of 2-[(7-ethyl-1H-indol-3-yl)methylamino]-2-methylpentanoic acid?
2-[(7-ethyl-1H-indol-3-yl)methylamino]-2-methylpentanoic acid has a molecular weight of 288.39 g/mol, XLogP of 3.46, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-ethyl-1H-indol-3-yl)methylamino]-2-methylpentanoic acid is sourced from PubChem (CID 65055782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).