(2-oxo-2-propan-2-yloxyethyl) 2-amino-6-chlorobenzoate

C12H14ClNO4 — CID 63661316

IUPAC(2-oxo-2-propan-2-yloxyethyl) 2-amino-6-chlorobenzoate
SMILESCC(C)OC(=O)COC(=O)c1c(N)cccc1Cl
InChIInChI=1S/C12H14ClNO4/c1-7(2)18-10(15)6-17-12(16)11-8(13)4-3-5-9(11)14/h3-5,7H,6,14H2,1-2H3
InChIKeyDDZMVMJHDPGPKL-UHFFFAOYSA-N
MW271.70 g/mol
LogP2.03
Rot. Bonds4

About (2-oxo-2-propan-2-yloxyethyl) 2-amino-6-chlorobenzoate

(2-oxo-2-propan-2-yloxyethyl) 2-amino-6-chlorobenzoate (PubChem CID 63661316) has the molecular formula C12H14ClNO4 and a molecular weight of 271.70 g/mol. Its IUPAC name is (2-oxo-2-propan-2-yloxyethyl) 2-amino-6-chlorobenzoate.

Molecular Properties

Compound Name(2-oxo-2-propan-2-yloxyethyl) 2-amino-6-chlorobenzoate
PubChem CID63661316
Molecular FormulaC12H14ClNO4
Molecular Weight271.70 g/mol
Exact Mass271.06
IUPAC Name(2-oxo-2-propan-2-yloxyethyl) 2-amino-6-chlorobenzoate
SMILESCC(C)OC(=O)COC(=O)c1c(N)cccc1Cl
InChIInChI=1S/C12H14ClNO4/c1-7(2)18-10(15)6-17-12(16)11-8(13)4-3-5-9(11)14/h3-5,7H,6,14H2,1-2H3
InChIKeyDDZMVMJHDPGPKL-UHFFFAOYSA-N
XLogP2.03
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-ethoxy-2-oxoethyl) 2-amino-6-chlorobenzoate
CID 63663104
[2-(ethylamino)-2-oxoethyl] 2-amino-6-chlorobenzoate
CID 63662207
methoxymethyl 2-amino-6-chlorobenzoate
CID 65364299
propan-2-yl 2,6-dichlorobenzoate
CID 22149751
propan-2-yl 2-(2,6-dichlorophenoxy)acetate
CID 60643376
methyl 2-amino-6-(2-oxo-2-propan-2-yloxyethoxy)benzoate
CID 107341945
[2-oxo-2-(propylamino)ethyl] 2-amino-6-chlorobenzoate
CID 63662564
2-(3-methylbutoxy)ethyl 2-amino-6-chlorobenzoate
CID 63661136
methyl 2-amino-6-chlorobenzoate;hydrochloride
CID 84819290
(4-ethylphenyl)methyl 2-amino-6-chlorobenzoate
CID 63663287
(2-oxo-2-propan-2-yloxyethyl) 3-aminobenzoate
CID 54943232
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-amino-6-chlorobenzoate
CID 104563019

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-propan-2-yloxyethyl) 2-amino-6-chlorobenzoate?
The IUPAC name of (2-oxo-2-propan-2-yloxyethyl) 2-amino-6-chlorobenzoate (CID 63661316) is (2-oxo-2-propan-2-yloxyethyl) 2-amino-6-chlorobenzoate.
What is the SMILES notation for (2-oxo-2-propan-2-yloxyethyl) 2-amino-6-chlorobenzoate?
The canonical SMILES for (2-oxo-2-propan-2-yloxyethyl) 2-amino-6-chlorobenzoate is CC(C)OC(=O)COC(=O)c1c(N)cccc1Cl.
What is the InChIKey of (2-oxo-2-propan-2-yloxyethyl) 2-amino-6-chlorobenzoate?
The InChIKey is DDZMVMJHDPGPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO4/c1-7(2)18-10(15)6-17-12(16)11-8(13)4-3-5-9(11)14/h3-5,7H,6,14H2,1-2H3.
What are the key properties of (2-oxo-2-propan-2-yloxyethyl) 2-amino-6-chlorobenzoate?
(2-oxo-2-propan-2-yloxyethyl) 2-amino-6-chlorobenzoate has a molecular weight of 271.70 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-propan-2-yloxyethyl) 2-amino-6-chlorobenzoate is sourced from PubChem (CID 63661316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).