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

C14H20N2O3 — CID 174964021

IUPAC2-aminoethanol;4-(1H-indol-3-yl)butanoic acid
SMILESNCCO.O=C(O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C12H13NO2.C2H7NO/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11;3-1-2-4/h1-2,5-6,8,13H,3-4,7H2,(H,14,15);4H,1-3H2
InChIKeyJUIIHJRDDJCVPV-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.51
Rot. Bonds5

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

2-aminoethanol;4-(1H-indol-3-yl)butanoic acid (PubChem CID 174964021) has the molecular formula C14H20N2O3 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-aminoethanol;4-(1H-indol-3-yl)butanoic acid.

Molecular Properties

Compound Name2-aminoethanol;4-(1H-indol-3-yl)butanoic acid
PubChem CID174964021
Molecular FormulaC14H20N2O3
Molecular Weight264.33 g/mol
Exact Mass264.15
IUPAC Name2-aminoethanol;4-(1H-indol-3-yl)butanoic acid
SMILESNCCO.O=C(O)CCCc1c[nH]c2ccccc12
InChIInChI=1S/C12H13NO2.C2H7NO/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11;3-1-2-4/h1-2,5-6,8,13H,3-4,7H2,(H,14,15);4H,1-3H2
InChIKeyJUIIHJRDDJCVPV-UHFFFAOYSA-N
XLogP1.51
TPSA99.34 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

disodium;hydride;4-(1H-indol-3-yl)butanoic acid
CID 174726095
4-(1H-indol-3-yl)butanamide
CID 588715
1-hydroxy-11-(1H-indol-3-yl)undecane-2,8-dione
CID 58248576
2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol
CID 157231418
S-amino 4-(1H-indol-3-yl)butanethioate
CID 87254354
4-(1H-indol-3-yl)-1-phenylbutan-1-one
CID 101437539
acetic acid;2-(1H-indol-3-yl)ethanamine
CID 57357905
8-(1H-indol-3-yl)octan-1-amine
CID 57188115
5-[2-(1H-indol-3-yl)ethylselanyl]pentanoic acid
CID 582674
3-amino-N-[3-(1H-indol-3-yl)propyl]propanamide
CID 119320787
4-(1H-indol-3-yl)butan-1-amine;hydrochloride
CID 53439494
6-(1H-indol-3-yl)hexan-3-one
CID 58575746

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;4-(1H-indol-3-yl)butanoic acid?
The IUPAC name of 2-aminoethanol;4-(1H-indol-3-yl)butanoic acid (CID 174964021) is 2-aminoethanol;4-(1H-indol-3-yl)butanoic acid.
What is the SMILES notation for 2-aminoethanol;4-(1H-indol-3-yl)butanoic acid?
The canonical SMILES for 2-aminoethanol;4-(1H-indol-3-yl)butanoic acid is NCCO.O=C(O)CCCc1c[nH]c2ccccc12.
What is the InChIKey of 2-aminoethanol;4-(1H-indol-3-yl)butanoic acid?
The InChIKey is JUIIHJRDDJCVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2.C2H7NO/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11;3-1-2-4/h1-2,5-6,8,13H,3-4,7H2,(H,14,15);4H,1-3H2.
What are the key properties of 2-aminoethanol;4-(1H-indol-3-yl)butanoic acid?
2-aminoethanol;4-(1H-indol-3-yl)butanoic acid has a molecular weight of 264.33 g/mol, XLogP of 1.51, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;4-(1H-indol-3-yl)butanoic acid is sourced from PubChem (CID 174964021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).