5-amino-2-[(4-iodobenzoyl)amino]-5-oxopentanoic acid

C12H13IN2O4 — CID 43084994

IUPAC5-amino-2-[(4-iodobenzoyl)amino]-5-oxopentanoic acid
SMILESNC(=O)CCC(NC(=O)c1ccc(I)cc1)C(=O)O
InChIInChI=1S/C12H13IN2O4/c13-8-3-1-7(2-4-8)11(17)15-9(12(18)19)5-6-10(14)16/h1-4,9H,5-6H2,(H2,14,16)(H,15,17)(H,18,19)
InChIKeyFQZVHLZDFWFMTA-UHFFFAOYSA-N
MW376.15 g/mol
LogP0.74
Rot. Bonds6

About 5-amino-2-[(4-iodobenzoyl)amino]-5-oxopentanoic acid

5-amino-2-[(4-iodobenzoyl)amino]-5-oxopentanoic acid (PubChem CID 43084994) has the molecular formula C12H13IN2O4 and a molecular weight of 376.15 g/mol. Its IUPAC name is 5-amino-2-[(4-iodobenzoyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[(4-iodobenzoyl)amino]-5-oxopentanoic acid
PubChem CID43084994
Molecular FormulaC12H13IN2O4
Molecular Weight376.15 g/mol
Exact Mass375.99
IUPAC Name5-amino-2-[(4-iodobenzoyl)amino]-5-oxopentanoic acid
SMILESNC(=O)CCC(NC(=O)c1ccc(I)cc1)C(=O)O
InChIInChI=1S/C12H13IN2O4/c13-8-3-1-7(2-4-8)11(17)15-9(12(18)19)5-6-10(14)16/h1-4,9H,5-6H2,(H2,14,16)(H,15,17)(H,18,19)
InChIKeyFQZVHLZDFWFMTA-UHFFFAOYSA-N
XLogP0.74
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.15
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-[(4-chlorobenzoyl)amino]-5-oxopentanoic acid
CID 3735034
4-amino-2-[(4-iodobenzoyl)amino]-4-oxobutanoic acid
CID 43084996
(2S)-5-amino-2-[(3,4-dihydroxybenzoyl)amino]-5-oxopentanoic acid
CID 107728042
(2S)-5-amino-2-[(1-methylpyrrole-3-carbonyl)amino]-5-oxopentanoic acid
CID 110834835
5-amino-2-[(3-bromobenzoyl)amino]-5-oxopentanoic acid
CID 24693335
5-amino-2-[(3-methylbenzoyl)amino]-5-oxopentanoic acid
CID 43176049
5-amino-2-(1,3-benzodioxole-5-carbonylamino)-5-oxopentanoic acid
CID 43175930
5-amino-2-[[3-(aminomethyl)benzoyl]amino]-5-oxopentanoic acid
CID 82546355
(2S)-5-amino-2-(1H-indole-5-carbonylamino)-5-oxopentanoic acid
CID 63748597
(2R)-5-amino-2-(1,3-benzothiazole-6-carbonylamino)-5-oxopentanoic acid
CID 107829741
5-amino-2-(2,3-dihydro-1-benzofuran-5-carbonylamino)-5-oxopentanoic acid
CID 43358654
(2S)-2-[(4-fluorobenzoyl)amino]pentanedioic acid
CID 61151712

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(4-iodobenzoyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[(4-iodobenzoyl)amino]-5-oxopentanoic acid (CID 43084994) is 5-amino-2-[(4-iodobenzoyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[(4-iodobenzoyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[(4-iodobenzoyl)amino]-5-oxopentanoic acid is NC(=O)CCC(NC(=O)c1ccc(I)cc1)C(=O)O.
What is the InChIKey of 5-amino-2-[(4-iodobenzoyl)amino]-5-oxopentanoic acid?
The InChIKey is FQZVHLZDFWFMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IN2O4/c13-8-3-1-7(2-4-8)11(17)15-9(12(18)19)5-6-10(14)16/h1-4,9H,5-6H2,(H2,14,16)(H,15,17)(H,18,19).
What are the key properties of 5-amino-2-[(4-iodobenzoyl)amino]-5-oxopentanoic acid?
5-amino-2-[(4-iodobenzoyl)amino]-5-oxopentanoic acid has a molecular weight of 376.15 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(4-iodobenzoyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 43084994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).