2-amino-2-(1-ethyl-7-hydroxyindol-2-yl)acetic acid

C12H14N2O3 — CID 115072472

IUPAC2-amino-2-(1-ethyl-7-hydroxyindol-2-yl)acetic acid
SMILESCCn1c(C(N)C(=O)O)cc2cccc(O)c21
InChIInChI=1S/C12H14N2O3/c1-2-14-8(10(13)12(16)17)6-7-4-3-5-9(15)11(7)14/h3-6,10,15H,2,13H2,1H3,(H,16,17)
InChIKeyLMBNXIJXNIHJRK-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.45
Rot. Bonds3

About 2-amino-2-(1-ethyl-7-hydroxyindol-2-yl)acetic acid

2-amino-2-(1-ethyl-7-hydroxyindol-2-yl)acetic acid (PubChem CID 115072472) has the molecular formula C12H14N2O3 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-amino-2-(1-ethyl-7-hydroxyindol-2-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(1-ethyl-7-hydroxyindol-2-yl)acetic acid
PubChem CID115072472
Molecular FormulaC12H14N2O3
Molecular Weight234.26 g/mol
Exact Mass234.10
IUPAC Name2-amino-2-(1-ethyl-7-hydroxyindol-2-yl)acetic acid
SMILESCCn1c(C(N)C(=O)O)cc2cccc(O)c21
InChIInChI=1S/C12H14N2O3/c1-2-14-8(10(13)12(16)17)6-7-4-3-5-9(15)11(7)14/h3-6,10,15H,2,13H2,1H3,(H,16,17)
InChIKeyLMBNXIJXNIHJRK-UHFFFAOYSA-N
XLogP1.45
TPSA88.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(1-ethyl-5-methylindol-2-yl)acetic acid
CID 115072115
2-(1-ethyl-7-hydroxyindol-2-yl)-2-methylpropanoic acid
CID 117197219
2-amino-2-(6-bromo-1-ethylindol-2-yl)acetic acid
CID 115072292
1-ethyl-7-propan-2-ylindole-2-carboxylic acid
CID 105489529
1-ethyl-2-(propan-2-yloxymethyl)indol-7-ol
CID 117184262
2-amino-2-(1-methylindol-2-yl)acetic acid
CID 82658880
3-(1-ethyl-7-methylindol-2-yl)-2-methylpropanoic acid
CID 117196710
2-(1-ethyl-7-hydroxy-2-methylindol-3-yl)-2-hydroxyacetic acid
CID 115073165
methyl 2-amino-2-(5-chloro-1-ethylindol-2-yl)acetate
CID 115072130
3-(1-ethyl-7-fluoroindol-2-yl)-2-methylpropanoic acid
CID 117196993
methyl 2-amino-2-(7-fluoro-1-methylindol-2-yl)acetate
CID 115072345
2-(7-hydroxy-1-propan-2-ylindol-2-yl)acetic acid
CID 117197220

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1-ethyl-7-hydroxyindol-2-yl)acetic acid?
The IUPAC name of 2-amino-2-(1-ethyl-7-hydroxyindol-2-yl)acetic acid (CID 115072472) is 2-amino-2-(1-ethyl-7-hydroxyindol-2-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(1-ethyl-7-hydroxyindol-2-yl)acetic acid?
The canonical SMILES for 2-amino-2-(1-ethyl-7-hydroxyindol-2-yl)acetic acid is CCn1c(C(N)C(=O)O)cc2cccc(O)c21.
What is the InChIKey of 2-amino-2-(1-ethyl-7-hydroxyindol-2-yl)acetic acid?
The InChIKey is LMBNXIJXNIHJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-2-14-8(10(13)12(16)17)6-7-4-3-5-9(15)11(7)14/h3-6,10,15H,2,13H2,1H3,(H,16,17).
What are the key properties of 2-amino-2-(1-ethyl-7-hydroxyindol-2-yl)acetic acid?
2-amino-2-(1-ethyl-7-hydroxyindol-2-yl)acetic acid has a molecular weight of 234.26 g/mol, XLogP of 1.45, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1-ethyl-7-hydroxyindol-2-yl)acetic acid is sourced from PubChem (CID 115072472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).