2-(1H-indol-3-yl)acetic acid;4-(1H-indol-3-yl)butanoic acid

C22H22N2O4 — CID 11581659

IUPAC2-(1H-indol-3-yl)acetic acid;4-(1H-indol-3-yl)butanoic acid
SMILESO=C(O)CCCc1c[nH]c2ccccc12.O=C(O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C12H13NO2.C10H9NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11;12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-2,5-6,8,13H,3-4,7H2,(H,14,15);1-4,6,11H,5H2,(H,12,13)
InChIKeyYALNAERMZVRVNL-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.37
Rot. Bonds6

About 2-(1H-indol-3-yl)acetic acid;4-(1H-indol-3-yl)butanoic acid

2-(1H-indol-3-yl)acetic acid;4-(1H-indol-3-yl)butanoic acid (PubChem CID 11581659) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)acetic acid;4-(1H-indol-3-yl)butanoic acid.

Molecular Properties

Compound Name2-(1H-indol-3-yl)acetic acid;4-(1H-indol-3-yl)butanoic acid
PubChem CID11581659
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name2-(1H-indol-3-yl)acetic acid;4-(1H-indol-3-yl)butanoic acid
SMILESO=C(O)CCCc1c[nH]c2ccccc12.O=C(O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C12H13NO2.C10H9NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11;12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-2,5-6,8,13H,3-4,7H2,(H,14,15);1-4,6,11H,5H2,(H,12,13)
InChIKeyYALNAERMZVRVNL-UHFFFAOYSA-N
XLogP4.37
TPSA106.18 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

Indole-3-Butyric Acid
CID 8617
L-Tryptophan
CID 6305
Indole-3-Acetic Acid
CID 802
1H-Indole-3-propanoic acid
CID 3744
Dl-Tryptophan
CID 1148
D-Tryptophan
CID 9060
Indole-3-pyruvic acid
CID 803
Indole-3-lactic acid
CID 92904
2-azaniumyl-3-(1H-indol-3-yl)propanoate
CID 4099458
(2S)-2-ammonio-3-(1H-indol-3-yl)propanoate
CID 6923516
Methyl indole-3-acetate
CID 74706
Hypaphorine
CID 442106

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)acetic acid;4-(1H-indol-3-yl)butanoic acid?
The IUPAC name of 2-(1H-indol-3-yl)acetic acid;4-(1H-indol-3-yl)butanoic acid (CID 11581659) is 2-(1H-indol-3-yl)acetic acid;4-(1H-indol-3-yl)butanoic acid.
What is the SMILES notation for 2-(1H-indol-3-yl)acetic acid;4-(1H-indol-3-yl)butanoic acid?
The canonical SMILES for 2-(1H-indol-3-yl)acetic acid;4-(1H-indol-3-yl)butanoic acid is O=C(O)CCCc1c[nH]c2ccccc12.O=C(O)Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)acetic acid;4-(1H-indol-3-yl)butanoic acid?
The InChIKey is YALNAERMZVRVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2.C10H9NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11;12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-2,5-6,8,13H,3-4,7H2,(H,14,15);1-4,6,11H,5H2,(H,12,13).
What are the key properties of 2-(1H-indol-3-yl)acetic acid;4-(1H-indol-3-yl)butanoic acid?
2-(1H-indol-3-yl)acetic acid;4-(1H-indol-3-yl)butanoic acid has a molecular weight of 378.43 g/mol, XLogP of 4.37, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)acetic acid;4-(1H-indol-3-yl)butanoic acid is sourced from PubChem (CID 11581659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).