methyl 2-amino-2-(5-chloro-1-methylindol-2-yl)acetate

C12H13ClN2O2 — CID 115072020

IUPACmethyl 2-amino-2-(5-chloro-1-methylindol-2-yl)acetate
SMILESCOC(=O)C(N)c1cc2cc(Cl)ccc2n1C
InChIInChI=1S/C12H13ClN2O2/c1-15-9-4-3-8(13)5-7(9)6-10(15)11(14)12(16)17-2/h3-6,11H,14H2,1-2H3
InChIKeyAROXLHADRRLNQM-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.00
Rot. Bonds2

About methyl 2-amino-2-(5-chloro-1-methylindol-2-yl)acetate

methyl 2-amino-2-(5-chloro-1-methylindol-2-yl)acetate (PubChem CID 115072020) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is methyl 2-amino-2-(5-chloro-1-methylindol-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-(5-chloro-1-methylindol-2-yl)acetate
PubChem CID115072020
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Namemethyl 2-amino-2-(5-chloro-1-methylindol-2-yl)acetate
SMILESCOC(=O)C(N)c1cc2cc(Cl)ccc2n1C
InChIInChI=1S/C12H13ClN2O2/c1-15-9-4-3-8(13)5-7(9)6-10(15)11(14)12(16)17-2/h3-6,11H,14H2,1-2H3
InChIKeyAROXLHADRRLNQM-UHFFFAOYSA-N
XLogP2.00
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-2-(5-chloro-1-ethylindol-2-yl)acetate
CID 115072130
2-(5-chloro-1-methylindol-2-yl)-2-hydroxyacetic acid
CID 115072026
methyl 5-chloro-1-methylindole-2-carboxylate
CID 4777715
methyl 2-amino-2-(7-fluoro-1-methylindol-2-yl)acetate
CID 115072345
methyl 2-amino-3-(5-chloroindol-1-yl)propanoate
CID 68851611
methyl 2-[[(5-chloro-1-methylindole-2-carbonyl)amino]methyl]-4,4-dimethylpentanoate
CID 166342088
methyl 2-amino-2-(5-hydroxy-1-propan-2-ylindol-2-yl)acetate
CID 115072151
methyl 2-amino-2-(4-bromo-1-methylindol-2-yl)acetate
CID 115071831
methyl 2-amino-2-(2,5-dichlorophenyl)acetate;hydrochloride
CID 162344729
methyl 2-amino-2-(2-amino-5-chlorophenyl)acetate
CID 130061350
1-(5-chloro-1-methylindol-2-yl)ethanone;ethane
CID 145281717
2-amino-2-(1-methylindol-2-yl)acetic acid
CID 82658880

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(5-chloro-1-methylindol-2-yl)acetate?
The IUPAC name of methyl 2-amino-2-(5-chloro-1-methylindol-2-yl)acetate (CID 115072020) is methyl 2-amino-2-(5-chloro-1-methylindol-2-yl)acetate.
What is the SMILES notation for methyl 2-amino-2-(5-chloro-1-methylindol-2-yl)acetate?
The canonical SMILES for methyl 2-amino-2-(5-chloro-1-methylindol-2-yl)acetate is COC(=O)C(N)c1cc2cc(Cl)ccc2n1C.
What is the InChIKey of methyl 2-amino-2-(5-chloro-1-methylindol-2-yl)acetate?
The InChIKey is AROXLHADRRLNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-15-9-4-3-8(13)5-7(9)6-10(15)11(14)12(16)17-2/h3-6,11H,14H2,1-2H3.
What are the key properties of methyl 2-amino-2-(5-chloro-1-methylindol-2-yl)acetate?
methyl 2-amino-2-(5-chloro-1-methylindol-2-yl)acetate has a molecular weight of 252.70 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-(5-chloro-1-methylindol-2-yl)acetate is sourced from PubChem (CID 115072020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).