2-[1-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclobutyl]acetic acid

C16H18ClN3O4 — CID 119217782

IUPAC2-[1-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2cc(N3CCNC3=O)ccc2Cl)CCC1
InChIInChI=1S/C16H18ClN3O4/c17-12-3-2-10(20-7-6-18-15(20)24)8-11(12)14(23)19-16(4-1-5-16)9-13(21)22/h2-3,8H,1,4-7,9H2,(H,18,24)(H,19,23)(H,21,22)
InChIKeyUNYGNCWEIRKRPC-UHFFFAOYSA-N
MW351.79 g/mol
LogP2.00
Rot. Bonds5

About 2-[1-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclobutyl]acetic acid

2-[1-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclobutyl]acetic acid (PubChem CID 119217782) has the molecular formula C16H18ClN3O4 and a molecular weight of 351.79 g/mol. Its IUPAC name is 2-[1-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclobutyl]acetic acid
PubChem CID119217782
Molecular FormulaC16H18ClN3O4
Molecular Weight351.79 g/mol
Exact Mass351.10
IUPAC Name2-[1-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2cc(N3CCNC3=O)ccc2Cl)CCC1
InChIInChI=1S/C16H18ClN3O4/c17-12-3-2-10(20-7-6-18-15(20)24)8-11(12)14(23)19-16(4-1-5-16)9-13(21)22/h2-3,8H,1,4-7,9H2,(H,18,24)(H,19,23)(H,21,22)
InChIKeyUNYGNCWEIRKRPC-UHFFFAOYSA-N
XLogP2.00
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclobutyl]acetic acid (CID 119217782) is 2-[1-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)c2cc(N3CCNC3=O)ccc2Cl)CCC1.
What is the InChIKey of 2-[1-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclobutyl]acetic acid?
The InChIKey is UNYGNCWEIRKRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O4/c17-12-3-2-10(20-7-6-18-15(20)24)8-11(12)14(23)19-16(4-1-5-16)9-13(21)22/h2-3,8H,1,4-7,9H2,(H,18,24)(H,19,23)(H,21,22).
What are the key properties of 2-[1-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclobutyl]acetic acid?
2-[1-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclobutyl]acetic acid has a molecular weight of 351.79 g/mol, XLogP of 2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclobutyl]acetic acid is sourced from PubChem (CID 119217782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).