[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-amino-3-chlorobenzoate

C13H14ClN3O4 — CID 24531317

IUPAC[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-amino-3-chlorobenzoate
SMILESCC(OC(=O)c1cccc(Cl)c1N)C(=O)N1CCNC1=O
InChIInChI=1S/C13H14ClN3O4/c1-7(11(18)17-6-5-16-13(17)20)21-12(19)8-3-2-4-9(14)10(8)15/h2-4,7H,5-6,15H2,1H3,(H,16,20)
InChIKeyBLISPOUBMUNIMJ-UHFFFAOYSA-N
MW311.73 g/mol
LogP1.02
Rot. Bonds3

About [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-amino-3-chlorobenzoate

[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-amino-3-chlorobenzoate (PubChem CID 24531317) has the molecular formula C13H14ClN3O4 and a molecular weight of 311.73 g/mol. Its IUPAC name is [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-amino-3-chlorobenzoate.

Molecular Properties

Compound Name[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-amino-3-chlorobenzoate
PubChem CID24531317
Molecular FormulaC13H14ClN3O4
Molecular Weight311.73 g/mol
Exact Mass311.07
IUPAC Name[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-amino-3-chlorobenzoate
SMILESCC(OC(=O)c1cccc(Cl)c1N)C(=O)N1CCNC1=O
InChIInChI=1S/C13H14ClN3O4/c1-7(11(18)17-6-5-16-13(17)20)21-12(19)8-3-2-4-9(14)10(8)15/h2-4,7H,5-6,15H2,1H3,(H,16,20)
InChIKeyBLISPOUBMUNIMJ-UHFFFAOYSA-N
XLogP1.02
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.73
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-chloro-2-hydroxybenzoate
CID 8888771
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-methylsulfonylbenzoate
CID 8976431
2-(2-amino-3-chlorobenzoyl)oxypropanoic acid
CID 115547818
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(phenoxymethyl)benzoate
CID 18091914
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-iodobenzoate
CID 18090831
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-[(4-fluorophenyl)methoxy]benzoate
CID 18091092
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-iodobenzoate
CID 18090807
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate
CID 41078521
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate
CID 17396566
[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-[(2-fluorophenyl)methylsulfanyl]benzoate
CID 9384054
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-[(2-fluorophenyl)methylsulfanyl]benzoate
CID 9384055
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-pyrrol-1-ylbenzoate
CID 18092347

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-amino-3-chlorobenzoate?
The IUPAC name of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-amino-3-chlorobenzoate (CID 24531317) is [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-amino-3-chlorobenzoate.
What is the SMILES notation for [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-amino-3-chlorobenzoate?
The canonical SMILES for [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-amino-3-chlorobenzoate is CC(OC(=O)c1cccc(Cl)c1N)C(=O)N1CCNC1=O.
What is the InChIKey of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-amino-3-chlorobenzoate?
The InChIKey is BLISPOUBMUNIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O4/c1-7(11(18)17-6-5-16-13(17)20)21-12(19)8-3-2-4-9(14)10(8)15/h2-4,7H,5-6,15H2,1H3,(H,16,20).
What are the key properties of [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-amino-3-chlorobenzoate?
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-amino-3-chlorobenzoate has a molecular weight of 311.73 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-amino-3-chlorobenzoate is sourced from PubChem (CID 24531317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).