4-[(4-iodophenyl)carbamoylamino]butanoic acid

C11H13IN2O3 — CID 61185530

IUPAC4-[(4-iodophenyl)carbamoylamino]butanoic acid
SMILESO=C(O)CCCNC(=O)Nc1ccc(I)cc1
InChIInChI=1S/C11H13IN2O3/c12-8-3-5-9(6-4-8)14-11(17)13-7-1-2-10(15)16/h3-6H,1-2,7H2,(H,15,16)(H2,13,14,17)
InChIKeyDDRUOQRNHZGGLF-UHFFFAOYSA-N
MW348.14 g/mol
LogP2.28
Rot. Bonds5

About 4-[(4-iodophenyl)carbamoylamino]butanoic acid

4-[(4-iodophenyl)carbamoylamino]butanoic acid (PubChem CID 61185530) has the molecular formula C11H13IN2O3 and a molecular weight of 348.14 g/mol. Its IUPAC name is 4-[(4-iodophenyl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name4-[(4-iodophenyl)carbamoylamino]butanoic acid
PubChem CID61185530
Molecular FormulaC11H13IN2O3
Molecular Weight348.14 g/mol
Exact Mass348.00
IUPAC Name4-[(4-iodophenyl)carbamoylamino]butanoic acid
SMILESO=C(O)CCCNC(=O)Nc1ccc(I)cc1
InChIInChI=1S/C11H13IN2O3/c12-8-3-5-9(6-4-8)14-11(17)13-7-1-2-10(15)16/h3-6H,1-2,7H2,(H,15,16)(H2,13,14,17)
InChIKeyDDRUOQRNHZGGLF-UHFFFAOYSA-N
XLogP2.28
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.14
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-acetylphenyl)carbamoylamino]butanoic acid
CID 28511845
4-(pyridin-4-ylcarbamoylamino)butanoic acid
CID 108892691
2-[(4-iodophenyl)carbamoylamino]acetic acid
CID 43445581
5-[(4-iodophenyl)carbamoylamino]-5-oxopentanoic acid
CID 28976735
1-(4-iodophenyl)-3-(3-oxobutyl)urea
CID 108895214
7-[(4-fluorophenyl)carbamoylamino]heptanoic acid
CID 24689965
7-[(4-bromophenyl)carbamoylamino]heptanoic acid
CID 61190824
2-[2-[(4-iodophenyl)carbamoylamino]ethoxy]acetic acid
CID 79463530
4-[[4-(2-methoxy-2-oxoethyl)phenyl]carbamoylamino]butanoic acid
CID 122077972
6-[(3,4-dimethylphenyl)carbamoylamino]hexanoic acid
CID 61190966
6-[(4-carbamoylphenyl)carbamoylamino]hexanoic acid
CID 61185640
6-[(4-ethylphenyl)carbamoylamino]hexanoic acid
CID 61189525

Frequently Asked Questions

What is the IUPAC name of 4-[(4-iodophenyl)carbamoylamino]butanoic acid?
The IUPAC name of 4-[(4-iodophenyl)carbamoylamino]butanoic acid (CID 61185530) is 4-[(4-iodophenyl)carbamoylamino]butanoic acid.
What is the SMILES notation for 4-[(4-iodophenyl)carbamoylamino]butanoic acid?
The canonical SMILES for 4-[(4-iodophenyl)carbamoylamino]butanoic acid is O=C(O)CCCNC(=O)Nc1ccc(I)cc1.
What is the InChIKey of 4-[(4-iodophenyl)carbamoylamino]butanoic acid?
The InChIKey is DDRUOQRNHZGGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN2O3/c12-8-3-5-9(6-4-8)14-11(17)13-7-1-2-10(15)16/h3-6H,1-2,7H2,(H,15,16)(H2,13,14,17).
What are the key properties of 4-[(4-iodophenyl)carbamoylamino]butanoic acid?
4-[(4-iodophenyl)carbamoylamino]butanoic acid has a molecular weight of 348.14 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-iodophenyl)carbamoylamino]butanoic acid is sourced from PubChem (CID 61185530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).