[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate

C15H17Cl2NO4 — CID 7862559

IUPAC[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate
SMILESC[C@@H](OC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)NC1CC1
InChIInChI=1S/C15H17Cl2NO4/c1-8(14(19)18-11-4-5-11)22-15(20)9(2)21-13-6-3-10(16)7-12(13)17/h3,6-9,11H,4-5H2,1-2H3,(H,18,19)/t8-,9-/m1/s1
InChIKeyZFRNNTOHYCIVMC-RKDXNWHRSA-N
MW346.21 g/mol
LogP2.97
Rot. Bonds6

About [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate

[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate (PubChem CID 7862559) has the molecular formula C15H17Cl2NO4 and a molecular weight of 346.21 g/mol. Its IUPAC name is [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate.

Molecular Properties

Compound Name[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate
PubChem CID7862559
Molecular FormulaC15H17Cl2NO4
Molecular Weight346.21 g/mol
Exact Mass345.05
IUPAC Name[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate
SMILESC[C@@H](OC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)NC1CC1
InChIInChI=1S/C15H17Cl2NO4/c1-8(14(19)18-11-4-5-11)22-15(20)9(2)21-13-6-3-10(16)7-12(13)17/h3,6-9,11H,4-5H2,1-2H3,(H,18,19)/t8-,9-/m1/s1
InChIKeyZFRNNTOHYCIVMC-RKDXNWHRSA-N
XLogP2.97
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898786
(2S)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898785
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 8837824
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 8837826
[(2S)-1-oxo-1-(propylamino)propan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 8978186
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7862297
2-(4-acetyl-2-chlorophenoxy)-N-cyclopropylpropanamide
CID 113389862
(2R)-N-cyclopropyl-2-(2,4,5-trichlorophenoxy)propanamide
CID 7832797
(2S)-N-cyclopropyl-2-(2,4,5-trichlorophenoxy)propanamide
CID 7832796
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7872819
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7862498
amino (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 170104927

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate?
The IUPAC name of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate (CID 7862559) is [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate.
What is the SMILES notation for [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate?
The canonical SMILES for [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate is C[C@@H](OC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)NC1CC1.
What is the InChIKey of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate?
The InChIKey is ZFRNNTOHYCIVMC-RKDXNWHRSA-N. The full InChI is InChI=1S/C15H17Cl2NO4/c1-8(14(19)18-11-4-5-11)22-15(20)9(2)21-13-6-3-10(16)7-12(13)17/h3,6-9,11H,4-5H2,1-2H3,(H,18,19)/t8-,9-/m1/s1.
What are the key properties of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate?
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate has a molecular weight of 346.21 g/mol, XLogP of 2.97, 6 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] (2R)-2-(2,4-dichlorophenoxy)propanoate is sourced from PubChem (CID 7862559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).