2-amino-2-(4-chloro-2-methyl-1-propan-2-ylindol-3-yl)acetic acid

C14H17ClN2O2 — CID 115072913

IUPAC2-amino-2-(4-chloro-2-methyl-1-propan-2-ylindol-3-yl)acetic acid
SMILESCc1c(C(N)C(=O)O)c2c(Cl)cccc2n1C(C)C
InChIInChI=1S/C14H17ClN2O2/c1-7(2)17-8(3)11(13(16)14(18)19)12-9(15)5-4-6-10(12)17/h4-7,13H,16H2,1-3H3,(H,18,19)
InChIKeyBFAJYARKZCXWLN-UHFFFAOYSA-N
MW280.76 g/mol
LogP3.27
Rot. Bonds3

About 2-amino-2-(4-chloro-2-methyl-1-propan-2-ylindol-3-yl)acetic acid

2-amino-2-(4-chloro-2-methyl-1-propan-2-ylindol-3-yl)acetic acid (PubChem CID 115072913) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.76 g/mol. Its IUPAC name is 2-amino-2-(4-chloro-2-methyl-1-propan-2-ylindol-3-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(4-chloro-2-methyl-1-propan-2-ylindol-3-yl)acetic acid
PubChem CID115072913
Molecular FormulaC14H17ClN2O2
Molecular Weight280.76 g/mol
Exact Mass280.10
IUPAC Name2-amino-2-(4-chloro-2-methyl-1-propan-2-ylindol-3-yl)acetic acid
SMILESCc1c(C(N)C(=O)O)c2c(Cl)cccc2n1C(C)C
InChIInChI=1S/C14H17ClN2O2/c1-7(2)17-8(3)11(13(16)14(18)19)12-9(15)5-4-6-10(12)17/h4-7,13H,16H2,1-3H3,(H,18,19)
InChIKeyBFAJYARKZCXWLN-UHFFFAOYSA-N
XLogP3.27
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-methyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid
CID 115072918
2-amino-2-(1,2,4-trimethylindol-3-yl)acetic acid
CID 115072838
2-(2,4-dimethyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid
CID 115072908
(2S)-2-amino-2-(2,6-dichlorophenyl)acetic acid;hydrochloride
CID 162344171
5-chloro-2-phenyl-1-propan-2-ylquinazolin-4-one
CID 13064615
2-amino-2-(7-chloro-1-propan-2-ylindol-3-yl)acetic acid
CID 115073490
2-amino-2-(3-chloro-2-fluorophenyl)acetic acid;hydrochloride
CID 175479963
2-amino-2-(2-chloro-4,6-dimethylphenyl)acetic acid
CID 84783100
1-(4-chloro-1-propan-2-ylindol-3-yl)ethanone
CID 117119721
2-(3-ethoxycarbonyl-2-methyl-1-propan-2-ylindol-4-yl)-2-(3-hydroxyphenyl)acetic acid
CID 54296231
2-(4-chloro-1-propan-2-ylindol-3-yl)-2-methylpropanoic acid
CID 117119738
2-amino-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)acetic acid
CID 83882240

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-chloro-2-methyl-1-propan-2-ylindol-3-yl)acetic acid?
The IUPAC name of 2-amino-2-(4-chloro-2-methyl-1-propan-2-ylindol-3-yl)acetic acid (CID 115072913) is 2-amino-2-(4-chloro-2-methyl-1-propan-2-ylindol-3-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(4-chloro-2-methyl-1-propan-2-ylindol-3-yl)acetic acid?
The canonical SMILES for 2-amino-2-(4-chloro-2-methyl-1-propan-2-ylindol-3-yl)acetic acid is Cc1c(C(N)C(=O)O)c2c(Cl)cccc2n1C(C)C.
What is the InChIKey of 2-amino-2-(4-chloro-2-methyl-1-propan-2-ylindol-3-yl)acetic acid?
The InChIKey is BFAJYARKZCXWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-7(2)17-8(3)11(13(16)14(18)19)12-9(15)5-4-6-10(12)17/h4-7,13H,16H2,1-3H3,(H,18,19).
What are the key properties of 2-amino-2-(4-chloro-2-methyl-1-propan-2-ylindol-3-yl)acetic acid?
2-amino-2-(4-chloro-2-methyl-1-propan-2-ylindol-3-yl)acetic acid has a molecular weight of 280.76 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-chloro-2-methyl-1-propan-2-ylindol-3-yl)acetic acid is sourced from PubChem (CID 115072913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).