2-[[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]methyl]-4-methylpentanoic acid

C17H22ClN3O4 — CID 119253358

IUPAC2-[[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]methyl]-4-methylpentanoic acid
SMILESCC(C)CC(CNC(=O)c1cc(N2CCNC2=O)ccc1Cl)C(=O)O
InChIInChI=1S/C17H22ClN3O4/c1-10(2)7-11(16(23)24)9-20-15(22)13-8-12(3-4-14(13)18)21-6-5-19-17(21)25/h3-4,8,10-11H,5-7,9H2,1-2H3,(H,19,25)(H,20,22)(H,23,24)
InChIKeySAQJUISLBFMUJI-UHFFFAOYSA-N
MW367.83 g/mol
LogP2.35
Rot. Bonds7

About 2-[[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]methyl]-4-methylpentanoic acid

2-[[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]methyl]-4-methylpentanoic acid (PubChem CID 119253358) has the molecular formula C17H22ClN3O4 and a molecular weight of 367.83 g/mol. Its IUPAC name is 2-[[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]methyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]methyl]-4-methylpentanoic acid
PubChem CID119253358
Molecular FormulaC17H22ClN3O4
Molecular Weight367.83 g/mol
Exact Mass367.13
IUPAC Name2-[[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]methyl]-4-methylpentanoic acid
SMILESCC(C)CC(CNC(=O)c1cc(N2CCNC2=O)ccc1Cl)C(=O)O
InChIInChI=1S/C17H22ClN3O4/c1-10(2)7-11(16(23)24)9-20-15(22)13-8-12(3-4-14(13)18)21-6-5-19-17(21)25/h3-4,8,10-11H,5-7,9H2,1-2H3,(H,19,25)(H,20,22)(H,23,24)
InChIKeySAQJUISLBFMUJI-UHFFFAOYSA-N
XLogP2.35
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.83
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]methyl]-4-methylpentanoic acid?
The IUPAC name of 2-[[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]methyl]-4-methylpentanoic acid (CID 119253358) is 2-[[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]methyl]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]methyl]-4-methylpentanoic acid?
The canonical SMILES for 2-[[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]methyl]-4-methylpentanoic acid is CC(C)CC(CNC(=O)c1cc(N2CCNC2=O)ccc1Cl)C(=O)O.
What is the InChIKey of 2-[[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]methyl]-4-methylpentanoic acid?
The InChIKey is SAQJUISLBFMUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O4/c1-10(2)7-11(16(23)24)9-20-15(22)13-8-12(3-4-14(13)18)21-6-5-19-17(21)25/h3-4,8,10-11H,5-7,9H2,1-2H3,(H,19,25)(H,20,22)(H,23,24).
What are the key properties of 2-[[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]methyl]-4-methylpentanoic acid?
2-[[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]methyl]-4-methylpentanoic acid has a molecular weight of 367.83 g/mol, XLogP of 2.35, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]methyl]-4-methylpentanoic acid is sourced from PubChem (CID 119253358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).