[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenyl)acetate

C12H12Cl2N2O4 — CID 2554330

IUPAC[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenyl)acetate
SMILESC[C@H](OC(=O)Cc1ccc(Cl)cc1Cl)C(=O)NC(N)=O
InChIInChI=1S/C12H12Cl2N2O4/c1-6(11(18)16-12(15)19)20-10(17)4-7-2-3-8(13)5-9(7)14/h2-3,5-6H,4H2,1H3,(H3,15,16,18,19)/t6-/m0/s1
InChIKeyOETLLZFWRFFJQT-LURJTMIESA-N
MW319.14 g/mol
LogP1.66
Rot. Bonds4

About [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenyl)acetate

[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenyl)acetate (PubChem CID 2554330) has the molecular formula C12H12Cl2N2O4 and a molecular weight of 319.14 g/mol. Its IUPAC name is [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenyl)acetate.

Molecular Properties

Compound Name[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenyl)acetate
PubChem CID2554330
Molecular FormulaC12H12Cl2N2O4
Molecular Weight319.14 g/mol
Exact Mass318.02
IUPAC Name[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenyl)acetate
SMILESC[C@H](OC(=O)Cc1ccc(Cl)cc1Cl)C(=O)NC(N)=O
InChIInChI=1S/C12H12Cl2N2O4/c1-6(11(18)16-12(15)19)20-10(17)4-7-2-3-8(13)5-9(7)14/h2-3,5-6H,4H2,1H3,(H3,15,16,18,19)/t6-/m0/s1
InChIKeyOETLLZFWRFFJQT-LURJTMIESA-N
XLogP1.66
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.14
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2,6-dichlorophenyl)acetate
CID 2606014
[(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenyl)acetate
CID 7763083
[(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2-(2,4-dichlorophenyl)acetate
CID 7763197
[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(2,4-dichlorophenyl)acetate
CID 7951156
[(2R)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenyl)acetate
CID 7951150
[1-(carbamoylamino)-1-oxopropan-2-yl] 2-amino-5-chlorobenzoate
CID 60626647
[1-(carbamoylamino)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 16540210
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 2629299
[1-(carbamoylamino)-1-oxopropan-2-yl] 3-chlorobenzoate
CID 46790569
(1-amino-1-oxopropan-2-yl) 2-(2-chlorophenyl)acetate
CID 42903223
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-[(4-chlorophenyl)methyl-ethylamino]acetate
CID 95347808
(2,4-dichlorophenyl)methyl (2R)-2-(carbamoylamino)propanoate
CID 2375336

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenyl)acetate?
The IUPAC name of [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenyl)acetate (CID 2554330) is [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenyl)acetate.
What is the SMILES notation for [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenyl)acetate?
The canonical SMILES for [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenyl)acetate is C[C@H](OC(=O)Cc1ccc(Cl)cc1Cl)C(=O)NC(N)=O.
What is the InChIKey of [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenyl)acetate?
The InChIKey is OETLLZFWRFFJQT-LURJTMIESA-N. The full InChI is InChI=1S/C12H12Cl2N2O4/c1-6(11(18)16-12(15)19)20-10(17)4-7-2-3-8(13)5-9(7)14/h2-3,5-6H,4H2,1H3,(H3,15,16,18,19)/t6-/m0/s1.
What are the key properties of [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenyl)acetate?
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenyl)acetate has a molecular weight of 319.14 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2,4-dichlorophenyl)acetate is sourced from PubChem (CID 2554330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).