[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3,4-dichlorobenzoate

C11H10Cl2N2O4 — CID 7864757

IUPAC[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3,4-dichlorobenzoate
SMILESC[C@@H](OC(=O)c1ccc(Cl)c(Cl)c1)C(=O)NC(N)=O
InChIInChI=1S/C11H10Cl2N2O4/c1-5(9(16)15-11(14)18)19-10(17)6-2-3-7(12)8(13)4-6/h2-5H,1H3,(H3,14,15,16,18)/t5-/m1/s1
InChIKeyZUYOZTULZSNSES-RXMQYKEDSA-N
MW305.12 g/mol
LogP1.73
Rot. Bonds3

About [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3,4-dichlorobenzoate

[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3,4-dichlorobenzoate (PubChem CID 7864757) has the molecular formula C11H10Cl2N2O4 and a molecular weight of 305.12 g/mol. Its IUPAC name is [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3,4-dichlorobenzoate.

Molecular Properties

Compound Name[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3,4-dichlorobenzoate
PubChem CID7864757
Molecular FormulaC11H10Cl2N2O4
Molecular Weight305.12 g/mol
Exact Mass304.00
IUPAC Name[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3,4-dichlorobenzoate
SMILESC[C@@H](OC(=O)c1ccc(Cl)c(Cl)c1)C(=O)NC(N)=O
InChIInChI=1S/C11H10Cl2N2O4/c1-5(9(16)15-11(14)18)19-10(17)6-2-3-7(12)8(13)4-6/h2-5H,1H3,(H3,14,15,16,18)/t5-/m1/s1
InChIKeyZUYOZTULZSNSES-RXMQYKEDSA-N
XLogP1.73
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-chloro-3-sulfamoylbenzoate
CID 2638592
[1-(carbamoylamino)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 16540210
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 2629299
[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 3,4-dichlorobenzoate
CID 9487944
[1-(carbamoylamino)-1-oxopropan-2-yl] 3-chlorobenzoate
CID 46790569
[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 3,4-dichlorobenzoate
CID 8569684
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-chloro-3-(diethylsulfamoyl)benzoate
CID 2637819
[1-(carbamoylamino)-1-oxopropan-2-yl] 5-bromo-2-chlorobenzoate
CID 16524612
[1-(carbamoylamino)-1-oxopropan-2-yl] 4-fluorobenzoate
CID 16540114
[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3,4-dichlorobenzoate
CID 8569640
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-chloro-5-methylsulfanylbenzoate
CID 2638016
[1-(carbamoylamino)-1-oxopropan-2-yl] 4-(hydroxymethyl)benzoate
CID 3681779

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3,4-dichlorobenzoate?
The IUPAC name of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3,4-dichlorobenzoate (CID 7864757) is [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3,4-dichlorobenzoate.
What is the SMILES notation for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3,4-dichlorobenzoate?
The canonical SMILES for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3,4-dichlorobenzoate is C[C@@H](OC(=O)c1ccc(Cl)c(Cl)c1)C(=O)NC(N)=O.
What is the InChIKey of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3,4-dichlorobenzoate?
The InChIKey is ZUYOZTULZSNSES-RXMQYKEDSA-N. The full InChI is InChI=1S/C11H10Cl2N2O4/c1-5(9(16)15-11(14)18)19-10(17)6-2-3-7(12)8(13)4-6/h2-5H,1H3,(H3,14,15,16,18)/t5-/m1/s1.
What are the key properties of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3,4-dichlorobenzoate?
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3,4-dichlorobenzoate has a molecular weight of 305.12 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3,4-dichlorobenzoate is sourced from PubChem (CID 7864757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).