[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2-chloro-4-phenylphenoxy)acetate

C20H20ClNO4 — CID 8546814

IUPAC[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2-chloro-4-phenylphenoxy)acetate
SMILESC[C@@H](OC(=O)COc1ccc(-c2ccccc2)cc1Cl)C(=O)NC1CC1
InChIInChI=1S/C20H20ClNO4/c1-13(20(24)22-16-8-9-16)26-19(23)12-25-18-10-7-15(11-17(18)21)14-5-3-2-4-6-14/h2-7,10-11,13,16H,8-9,12H2,1H3,(H,22,24)/t13-/m1/s1
InChIKeyVHRGNZZBJZTUFG-CYBMUJFWSA-N
MW373.84 g/mol
LogP3.60
Rot. Bonds7

About [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2-chloro-4-phenylphenoxy)acetate

[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2-chloro-4-phenylphenoxy)acetate (PubChem CID 8546814) has the molecular formula C20H20ClNO4 and a molecular weight of 373.84 g/mol. Its IUPAC name is [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2-chloro-4-phenylphenoxy)acetate.

Molecular Properties

Compound Name[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2-chloro-4-phenylphenoxy)acetate
PubChem CID8546814
Molecular FormulaC20H20ClNO4
Molecular Weight373.84 g/mol
Exact Mass373.11
IUPAC Name[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2-chloro-4-phenylphenoxy)acetate
SMILESC[C@@H](OC(=O)COc1ccc(-c2ccccc2)cc1Cl)C(=O)NC1CC1
InChIInChI=1S/C20H20ClNO4/c1-13(20(24)22-16-8-9-16)26-19(23)12-25-18-10-7-15(11-17(18)21)14-5-3-2-4-6-14/h2-7,10-11,13,16H,8-9,12H2,1H3,(H,22,24)/t13-/m1/s1
InChIKeyVHRGNZZBJZTUFG-CYBMUJFWSA-N
XLogP3.60
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2-chloro-4-phenylphenoxy)-N-cyclopentylpropanamide
CID 7652970
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-phenoxyacetate
CID 7697256
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 7854091
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8525763
(2S)-2-(2-chloro-4-phenylphenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7653013
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(4-chloro-3-methylphenoxy)acetate
CID 9273672
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-naphthalen-1-yloxyacetate
CID 3585051
2-(2-chloro-4-phenylphenoxy)-N-methylacetamide
CID 17466417
2-(2-chloro-4-phenylphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 7949295
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-chloro-4-phenylphenoxy)acetamide;hydrochloride
CID 119456429
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 7804136
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-(2-chloro-4-fluorophenoxy)acetate
CID 9060339

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2-chloro-4-phenylphenoxy)acetate?
The IUPAC name of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2-chloro-4-phenylphenoxy)acetate (CID 8546814) is [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2-chloro-4-phenylphenoxy)acetate.
What is the SMILES notation for [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2-chloro-4-phenylphenoxy)acetate?
The canonical SMILES for [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2-chloro-4-phenylphenoxy)acetate is C[C@@H](OC(=O)COc1ccc(-c2ccccc2)cc1Cl)C(=O)NC1CC1.
What is the InChIKey of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2-chloro-4-phenylphenoxy)acetate?
The InChIKey is VHRGNZZBJZTUFG-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H20ClNO4/c1-13(20(24)22-16-8-9-16)26-19(23)12-25-18-10-7-15(11-17(18)21)14-5-3-2-4-6-14/h2-7,10-11,13,16H,8-9,12H2,1H3,(H,22,24)/t13-/m1/s1.
What are the key properties of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2-chloro-4-phenylphenoxy)acetate?
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2-chloro-4-phenylphenoxy)acetate has a molecular weight of 373.84 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2-chloro-4-phenylphenoxy)acetate is sourced from PubChem (CID 8546814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).