2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]-cyclopropylamino]acetic acid

C15H16ClN3O4 — CID 119195439

IUPAC2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]-cyclopropylamino]acetic acid
SMILESO=C(O)CN(C(=O)c1ccc(Cl)c(N2CCNC2=O)c1)C1CC1
InChIInChI=1S/C15H16ClN3O4/c16-11-4-1-9(7-12(11)18-6-5-17-15(18)23)14(22)19(8-13(20)21)10-2-3-10/h1,4,7,10H,2-3,5-6,8H2,(H,17,23)(H,20,21)
InChIKeyXPRHUCMXZRKAHC-UHFFFAOYSA-N
MW337.76 g/mol
LogP1.56
Rot. Bonds5

About 2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]-cyclopropylamino]acetic acid

2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]-cyclopropylamino]acetic acid (PubChem CID 119195439) has the molecular formula C15H16ClN3O4 and a molecular weight of 337.76 g/mol. Its IUPAC name is 2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]-cyclopropylamino]acetic acid
PubChem CID119195439
Molecular FormulaC15H16ClN3O4
Molecular Weight337.76 g/mol
Exact Mass337.08
IUPAC Name2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]-cyclopropylamino]acetic acid
SMILESO=C(O)CN(C(=O)c1ccc(Cl)c(N2CCNC2=O)c1)C1CC1
InChIInChI=1S/C15H16ClN3O4/c16-11-4-1-9(7-12(11)18-6-5-17-15(18)23)14(22)19(8-13(20)21)10-2-3-10/h1,4,7,10H,2-3,5-6,8H2,(H,17,23)(H,20,21)
InChIKeyXPRHUCMXZRKAHC-UHFFFAOYSA-N
XLogP1.56
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.76
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]-cyclopropylamino]acetic acid?
The IUPAC name of 2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]-cyclopropylamino]acetic acid (CID 119195439) is 2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]-cyclopropylamino]acetic acid is O=C(O)CN(C(=O)c1ccc(Cl)c(N2CCNC2=O)c1)C1CC1.
What is the InChIKey of 2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]-cyclopropylamino]acetic acid?
The InChIKey is XPRHUCMXZRKAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O4/c16-11-4-1-9(7-12(11)18-6-5-17-15(18)23)14(22)19(8-13(20)21)10-2-3-10/h1,4,7,10H,2-3,5-6,8H2,(H,17,23)(H,20,21).
What are the key properties of 2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]-cyclopropylamino]acetic acid?
2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]-cyclopropylamino]acetic acid has a molecular weight of 337.76 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]-cyclopropylamino]acetic acid is sourced from PubChem (CID 119195439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).