[2-(cyclopropylcarbamoylamino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate

C15H16Cl2N2O5 — CID 7862297

IUPAC[2-(cyclopropylcarbamoylamino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
SMILESC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)NC(=O)NC1CC1
InChIInChI=1S/C15H16Cl2N2O5/c1-8(24-12-5-2-9(16)6-11(12)17)14(21)23-7-13(20)19-15(22)18-10-3-4-10/h2,5-6,8,10H,3-4,7H2,1H3,(H2,18,19,20,22)/t8-/m1/s1
InChIKeyPRFTZGFLWQXLIE-MRVPVSSYSA-N
MW375.21 g/mol
LogP2.29
Rot. Bonds6

About [2-(cyclopropylcarbamoylamino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate

[2-(cyclopropylcarbamoylamino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate (PubChem CID 7862297) has the molecular formula C15H16Cl2N2O5 and a molecular weight of 375.21 g/mol. Its IUPAC name is [2-(cyclopropylcarbamoylamino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate.

Molecular Properties

Compound Name[2-(cyclopropylcarbamoylamino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
PubChem CID7862297
Molecular FormulaC15H16Cl2N2O5
Molecular Weight375.21 g/mol
Exact Mass374.04
IUPAC Name[2-(cyclopropylcarbamoylamino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
SMILESC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)NC(=O)NC1CC1
InChIInChI=1S/C15H16Cl2N2O5/c1-8(24-12-5-2-9(16)6-11(12)17)14(21)23-7-13(20)19-15(22)18-10-3-4-10/h2,5-6,8,10H,3-4,7H2,1H3,(H2,18,19,20,22)/t8-/m1/s1
InChIKeyPRFTZGFLWQXLIE-MRVPVSSYSA-N
XLogP2.29
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.21
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(cyclopropylcarbamoylamino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate with MolForge

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Related Compounds

[2-(methylamino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7862401
[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 7872890
(2R)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898786
(2S)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898785
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7862559
[2-(cyclopropylamino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate
CID 8867384
[2-(4-chloroanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)propanoate
CID 2927512
[2-(4-chloroanilino)-2-oxoethyl] (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 1322745
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)propanoate
CID 23764450
(2-amino-2-oxoethyl) (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7862593
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 7581872
[2-(cyclopentylamino)-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate
CID 8867507

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate?
The IUPAC name of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate (CID 7862297) is [2-(cyclopropylcarbamoylamino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate.
What is the SMILES notation for [2-(cyclopropylcarbamoylamino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate?
The canonical SMILES for [2-(cyclopropylcarbamoylamino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate is C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)NC(=O)NC1CC1.
What is the InChIKey of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate?
The InChIKey is PRFTZGFLWQXLIE-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O5/c1-8(24-12-5-2-9(16)6-11(12)17)14(21)23-7-13(20)19-15(22)18-10-3-4-10/h2,5-6,8,10H,3-4,7H2,1H3,(H2,18,19,20,22)/t8-/m1/s1.
What are the key properties of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate?
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate has a molecular weight of 375.21 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylcarbamoylamino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate is sourced from PubChem (CID 7862297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).