2-amino-2-(5-tert-butyl-1H-indol-3-yl)acetic acid

C14H18N2O2 — CID 84632317

IUPAC2-amino-2-(5-tert-butyl-1H-indol-3-yl)acetic acid
SMILESCC(C)(C)c1ccc2[nH]cc(C(N)C(=O)O)c2c1
InChIInChI=1S/C14H18N2O2/c1-14(2,3)8-4-5-11-9(6-8)10(7-16-11)12(15)13(17)18/h4-7,12,16H,15H2,1-3H3,(H,17,18)
InChIKeyQUUMKTDMQXLRQD-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.55
Rot. Bonds2

About 2-amino-2-(5-tert-butyl-1H-indol-3-yl)acetic acid

2-amino-2-(5-tert-butyl-1H-indol-3-yl)acetic acid (PubChem CID 84632317) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-amino-2-(5-tert-butyl-1H-indol-3-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(5-tert-butyl-1H-indol-3-yl)acetic acid
PubChem CID84632317
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-amino-2-(5-tert-butyl-1H-indol-3-yl)acetic acid
SMILESCC(C)(C)c1ccc2[nH]cc(C(N)C(=O)O)c2c1
InChIInChI=1S/C14H18N2O2/c1-14(2,3)8-4-5-11-9(6-8)10(7-16-11)12(15)13(17)18/h4-7,12,16H,15H2,1-3H3,(H,17,18)
InChIKeyQUUMKTDMQXLRQD-UHFFFAOYSA-N
XLogP2.55
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-[6-(trifluoromethyl)-1H-indol-3-yl]acetic acid
CID 115073427
5-tert-butyl-3-(3-methylbutan-2-yl)-1H-indole
CID 106985157
2-(5-tert-butyl-1H-indol-3-yl)-2-oxoacetic acid
CID 82497815
5-tert-butyl-3-pentan-2-yl-1H-indole
CID 106985614
(2S)-2-amino-2-(4-oxo-1H-quinolin-3-yl)acetic acid
CID 92855801
2-amino-2-(5-tert-butyl-2-methoxyphenyl)acetic acid
CID 3582246
ethyl 2-amino-2-(5-methyl-1H-indol-3-yl)acetate;hydrochloride
CID 78166336
2-amino-2-(2-tert-butylphenyl)acetic acid
CID 77127946
1-(5-tert-butyl-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone
CID 96679635
2-(5-hydroxy-1H-indol-3-yl)propanedioic acid
CID 91074600
2-(5-amino-1H-indol-3-yl)butanoic acid
CID 57352783
2-amino-2-[7-(trifluoromethyl)-1H-indol-3-yl]acetic acid
CID 115073468

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-tert-butyl-1H-indol-3-yl)acetic acid?
The IUPAC name of 2-amino-2-(5-tert-butyl-1H-indol-3-yl)acetic acid (CID 84632317) is 2-amino-2-(5-tert-butyl-1H-indol-3-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(5-tert-butyl-1H-indol-3-yl)acetic acid?
The canonical SMILES for 2-amino-2-(5-tert-butyl-1H-indol-3-yl)acetic acid is CC(C)(C)c1ccc2[nH]cc(C(N)C(=O)O)c2c1.
What is the InChIKey of 2-amino-2-(5-tert-butyl-1H-indol-3-yl)acetic acid?
The InChIKey is QUUMKTDMQXLRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-14(2,3)8-4-5-11-9(6-8)10(7-16-11)12(15)13(17)18/h4-7,12,16H,15H2,1-3H3,(H,17,18).
What are the key properties of 2-amino-2-(5-tert-butyl-1H-indol-3-yl)acetic acid?
2-amino-2-(5-tert-butyl-1H-indol-3-yl)acetic acid has a molecular weight of 246.31 g/mol, XLogP of 2.55, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-tert-butyl-1H-indol-3-yl)acetic acid is sourced from PubChem (CID 84632317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).