methyl 2-amino-2-(5-hydroxy-1-propan-2-ylindol-2-yl)acetate

C14H18N2O3 — CID 115072151

IUPACmethyl 2-amino-2-(5-hydroxy-1-propan-2-ylindol-2-yl)acetate
SMILESCOC(=O)C(N)c1cc2cc(O)ccc2n1C(C)C
InChIInChI=1S/C14H18N2O3/c1-8(2)16-11-5-4-10(17)6-9(11)7-12(16)13(15)14(18)19-3/h4-8,13,17H,15H2,1-3H3
InChIKeyLQEWRAFARWHFIH-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.10
Rot. Bonds3

About methyl 2-amino-2-(5-hydroxy-1-propan-2-ylindol-2-yl)acetate

methyl 2-amino-2-(5-hydroxy-1-propan-2-ylindol-2-yl)acetate (PubChem CID 115072151) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl 2-amino-2-(5-hydroxy-1-propan-2-ylindol-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-(5-hydroxy-1-propan-2-ylindol-2-yl)acetate
PubChem CID115072151
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namemethyl 2-amino-2-(5-hydroxy-1-propan-2-ylindol-2-yl)acetate
SMILESCOC(=O)C(N)c1cc2cc(O)ccc2n1C(C)C
InChIInChI=1S/C14H18N2O3/c1-8(2)16-11-5-4-10(17)6-9(11)7-12(16)13(15)14(18)19-3/h4-8,13,17H,15H2,1-3H3
InChIKeyLQEWRAFARWHFIH-UHFFFAOYSA-N
XLogP2.10
TPSA77.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-[1-propan-2-yl-5-(trifluoromethyl)indol-2-yl]acetic acid
CID 115072108
methyl 2-amino-2-(5-chloro-1-methylindol-2-yl)acetate
CID 115072020
ethyl 2-(5-hydroxy-1-propan-2-ylindol-2-yl)-2-oxoacetate
CID 115072574
methyl 2-amino-2-(5-chloro-1-ethylindol-2-yl)acetate
CID 115072130
2-hydroxy-2-(5-methoxy-1-propan-2-ylindol-2-yl)acetic acid
CID 115072156
methyl 2-amino-2-[1-ethyl-5-(trifluoromethyl)indol-2-yl]acetate
CID 115072109
methyl 1,2-di(propan-2-yl)indole-6-carboxylate
CID 164731183
6-hydroxy-1-propan-2-ylindole-2-carboxylic acid
CID 83917476
methyl (2R)-2-amino-2-(2,4,6-trihydroxyphenyl)acetate;hydrochloride
CID 171236695
3-[1-propan-2-yl-5-(trifluoromethyl)indol-2-yl]butanoic acid
CID 117121481
methyl 5-hydroxyindole-1-carboxylate
CID 162343401
methyl 2-amino-2-(7-fluoro-1-methylindol-2-yl)acetate
CID 115072345

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(5-hydroxy-1-propan-2-ylindol-2-yl)acetate?
The IUPAC name of methyl 2-amino-2-(5-hydroxy-1-propan-2-ylindol-2-yl)acetate (CID 115072151) is methyl 2-amino-2-(5-hydroxy-1-propan-2-ylindol-2-yl)acetate.
What is the SMILES notation for methyl 2-amino-2-(5-hydroxy-1-propan-2-ylindol-2-yl)acetate?
The canonical SMILES for methyl 2-amino-2-(5-hydroxy-1-propan-2-ylindol-2-yl)acetate is COC(=O)C(N)c1cc2cc(O)ccc2n1C(C)C.
What is the InChIKey of methyl 2-amino-2-(5-hydroxy-1-propan-2-ylindol-2-yl)acetate?
The InChIKey is LQEWRAFARWHFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-8(2)16-11-5-4-10(17)6-9(11)7-12(16)13(15)14(18)19-3/h4-8,13,17H,15H2,1-3H3.
What are the key properties of methyl 2-amino-2-(5-hydroxy-1-propan-2-ylindol-2-yl)acetate?
methyl 2-amino-2-(5-hydroxy-1-propan-2-ylindol-2-yl)acetate has a molecular weight of 262.31 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-(5-hydroxy-1-propan-2-ylindol-2-yl)acetate is sourced from PubChem (CID 115072151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).