2-amino-2-(7-chloro-1-propan-2-ylindol-3-yl)acetic acid

C13H15ClN2O2 — CID 115073490

IUPAC2-amino-2-(7-chloro-1-propan-2-ylindol-3-yl)acetic acid
SMILESCC(C)n1cc(C(N)C(=O)O)c2cccc(Cl)c21
InChIInChI=1S/C13H15ClN2O2/c1-7(2)16-6-9(11(15)13(17)18)8-4-3-5-10(14)12(8)16/h3-7,11H,15H2,1-2H3,(H,17,18)
InChIKeyRDZBIUKYUDCGBQ-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.96
Rot. Bonds3

About 2-amino-2-(7-chloro-1-propan-2-ylindol-3-yl)acetic acid

2-amino-2-(7-chloro-1-propan-2-ylindol-3-yl)acetic acid (PubChem CID 115073490) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 2-amino-2-(7-chloro-1-propan-2-ylindol-3-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(7-chloro-1-propan-2-ylindol-3-yl)acetic acid
PubChem CID115073490
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name2-amino-2-(7-chloro-1-propan-2-ylindol-3-yl)acetic acid
SMILESCC(C)n1cc(C(N)C(=O)O)c2cccc(Cl)c21
InChIInChI=1S/C13H15ClN2O2/c1-7(2)16-6-9(11(15)13(17)18)8-4-3-5-10(14)12(8)16/h3-7,11H,15H2,1-2H3,(H,17,18)
InChIKeyRDZBIUKYUDCGBQ-UHFFFAOYSA-N
XLogP2.96
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-methyl-1-propan-2-ylindol-3-yl)propanoic acid
CID 117197460
1,3-di(propan-2-yl)indole-7-carboxylic acid
CID 83945414
O-[(7-chloro-1-propan-2-ylindol-3-yl)methyl]hydroxylamine
CID 117197683
2-amino-2-(3-propan-2-ylbenzimidazol-4-yl)acetic acid
CID 83895538
(2S)-2-amino-2-(3-chloro-2-ethylphenyl)acetic acid
CID 130641092
2-amino-2-(3-chloro-2-fluorophenyl)acetic acid;hydrochloride
CID 175479963
(2S)-2-amino-2-(2,6-dichlorophenyl)acetic acid;hydrochloride
CID 162344171
2-[(7-chloro-1-propan-2-ylindol-3-yl)methoxy]phenol
CID 117182430
ethyl 2-hydroxy-2-(7-methoxy-1-propan-2-ylindol-3-yl)acetate
CID 115073347
2-amino-2-(4-chloro-2-methyl-1-propan-2-ylindol-3-yl)acetic acid
CID 115072913
2-amino-2-(2-chloro-3-methylphenyl)acetic acid;hydrochloride
CID 138109176
2-amino-2-(4-chloro-3-hydroxy-2-methoxyphenyl)acetic acid
CID 117335291

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(7-chloro-1-propan-2-ylindol-3-yl)acetic acid?
The IUPAC name of 2-amino-2-(7-chloro-1-propan-2-ylindol-3-yl)acetic acid (CID 115073490) is 2-amino-2-(7-chloro-1-propan-2-ylindol-3-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(7-chloro-1-propan-2-ylindol-3-yl)acetic acid?
The canonical SMILES for 2-amino-2-(7-chloro-1-propan-2-ylindol-3-yl)acetic acid is CC(C)n1cc(C(N)C(=O)O)c2cccc(Cl)c21.
What is the InChIKey of 2-amino-2-(7-chloro-1-propan-2-ylindol-3-yl)acetic acid?
The InChIKey is RDZBIUKYUDCGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-7(2)16-6-9(11(15)13(17)18)8-4-3-5-10(14)12(8)16/h3-7,11H,15H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-2-(7-chloro-1-propan-2-ylindol-3-yl)acetic acid?
2-amino-2-(7-chloro-1-propan-2-ylindol-3-yl)acetic acid has a molecular weight of 266.73 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(7-chloro-1-propan-2-ylindol-3-yl)acetic acid is sourced from PubChem (CID 115073490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).