(2R)-2-[(2-iodophenyl)carbamoylamino]-5-methoxy-5-oxopentanoic acid

C13H15IN2O5 — CID 107825786

IUPAC(2R)-2-[(2-iodophenyl)carbamoylamino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)Nc1ccccc1I)C(=O)O
InChIInChI=1S/C13H15IN2O5/c1-21-11(17)7-6-10(12(18)19)16-13(20)15-9-5-3-2-4-8(9)14/h2-5,10H,6-7H2,1H3,(H,18,19)(H2,15,16,20)/t10-/m1/s1
InChIKeyKLTVHGWGOJWIEC-SNVBAGLBSA-N
MW406.18 g/mol
LogP1.82
Rot. Bonds6

About (2R)-2-[(2-iodophenyl)carbamoylamino]-5-methoxy-5-oxopentanoic acid

(2R)-2-[(2-iodophenyl)carbamoylamino]-5-methoxy-5-oxopentanoic acid (PubChem CID 107825786) has the molecular formula C13H15IN2O5 and a molecular weight of 406.18 g/mol. Its IUPAC name is (2R)-2-[(2-iodophenyl)carbamoylamino]-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-iodophenyl)carbamoylamino]-5-methoxy-5-oxopentanoic acid
PubChem CID107825786
Molecular FormulaC13H15IN2O5
Molecular Weight406.18 g/mol
Exact Mass406.00
IUPAC Name(2R)-2-[(2-iodophenyl)carbamoylamino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)Nc1ccccc1I)C(=O)O
InChIInChI=1S/C13H15IN2O5/c1-21-11(17)7-6-10(12(18)19)16-13(20)15-9-5-3-2-4-8(9)14/h2-5,10H,6-7H2,1H3,(H,18,19)(H2,15,16,20)/t10-/m1/s1
InChIKeyKLTVHGWGOJWIEC-SNVBAGLBSA-N
XLogP1.82
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.18
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(2-iodophenyl)carbamoylamino]-4-methoxy-4-oxobutanoic acid
CID 63307229
(2S)-4-amino-2-[(2-iodophenyl)carbamoylamino]-4-oxobutanoic acid
CID 63714892
(2R)-4-amino-2-[(2-iodophenyl)carbamoylamino]-4-oxobutanoic acid
CID 107825787
(2S)-2-benzamido-5-methoxy-5-oxopentanoic acid
CID 10923432
(2R)-2-[(1,3-dimethylpyrazol-4-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107829412
2-[(2-methylsulfanylphenyl)carbamoylamino]pentanedioic acid
CID 107642342
(2R)-2-[[2-(2-hydroxyphenyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107820559
2-[[(2S)-2-amino-2-phenylacetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 104898298
2-[(2-ethylphenyl)carbamoylamino]-4-methoxybutanoic acid
CID 62480074
(2R)-2-(naphthalen-1-ylcarbamoylamino)pentanedioic acid
CID 95559600
(2R)-2-[(2-hydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820728
(2R)-2-[[2-(methoxymethyl)phenyl]carbamoylamino]pentanoic acid
CID 107566509

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-iodophenyl)carbamoylamino]-5-methoxy-5-oxopentanoic acid?
The IUPAC name of (2R)-2-[(2-iodophenyl)carbamoylamino]-5-methoxy-5-oxopentanoic acid (CID 107825786) is (2R)-2-[(2-iodophenyl)carbamoylamino]-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for (2R)-2-[(2-iodophenyl)carbamoylamino]-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for (2R)-2-[(2-iodophenyl)carbamoylamino]-5-methoxy-5-oxopentanoic acid is COC(=O)CC[C@@H](NC(=O)Nc1ccccc1I)C(=O)O.
What is the InChIKey of (2R)-2-[(2-iodophenyl)carbamoylamino]-5-methoxy-5-oxopentanoic acid?
The InChIKey is KLTVHGWGOJWIEC-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15IN2O5/c1-21-11(17)7-6-10(12(18)19)16-13(20)15-9-5-3-2-4-8(9)14/h2-5,10H,6-7H2,1H3,(H,18,19)(H2,15,16,20)/t10-/m1/s1.
What are the key properties of (2R)-2-[(2-iodophenyl)carbamoylamino]-5-methoxy-5-oxopentanoic acid?
(2R)-2-[(2-iodophenyl)carbamoylamino]-5-methoxy-5-oxopentanoic acid has a molecular weight of 406.18 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-iodophenyl)carbamoylamino]-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 107825786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).