7-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]heptanoic acid

C17H23N3O4 — CID 119227169

IUPAC7-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)c1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C17H23N3O4/c21-15(22)5-3-1-2-4-10-18-16(23)13-6-8-14(9-7-13)20-12-11-19-17(20)24/h6-9H,1-5,10-12H2,(H,18,23)(H,19,24)(H,21,22)
InChIKeyMDADPHOJCPBJDJ-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.98
Rot. Bonds9

About 7-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]heptanoic acid

7-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]heptanoic acid (PubChem CID 119227169) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 7-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]heptanoic acid.

Molecular Properties

Compound Name7-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]heptanoic acid
PubChem CID119227169
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name7-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)c1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C17H23N3O4/c21-15(22)5-3-1-2-4-10-18-16(23)13-6-8-14(9-7-13)20-12-11-19-17(20)24/h6-9H,1-5,10-12H2,(H,18,23)(H,19,24)(H,21,22)
InChIKeyMDADPHOJCPBJDJ-UHFFFAOYSA-N
XLogP1.98
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]heptanoic acid?
The IUPAC name of 7-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]heptanoic acid (CID 119227169) is 7-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]heptanoic acid.
What is the SMILES notation for 7-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]heptanoic acid?
The canonical SMILES for 7-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]heptanoic acid is O=C(O)CCCCCCNC(=O)c1ccc(N2CCNC2=O)cc1.
What is the InChIKey of 7-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]heptanoic acid?
The InChIKey is MDADPHOJCPBJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c21-15(22)5-3-1-2-4-10-18-16(23)13-6-8-14(9-7-13)20-12-11-19-17(20)24/h6-9H,1-5,10-12H2,(H,18,23)(H,19,24)(H,21,22).
What are the key properties of 7-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]heptanoic acid?
7-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]heptanoic acid has a molecular weight of 333.39 g/mol, XLogP of 1.98, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]heptanoic acid is sourced from PubChem (CID 119227169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).