2-[(2-iodophenyl)carbamoyl-methylamino]propanoic acid

C11H13IN2O3 — CID 62637000

IUPAC2-[(2-iodophenyl)carbamoyl-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)Nc1ccccc1I
InChIInChI=1S/C11H13IN2O3/c1-7(10(15)16)14(2)11(17)13-9-6-4-3-5-8(9)12/h3-7H,1-2H3,(H,13,17)(H,15,16)
InChIKeyZXODGGALUYFECU-UHFFFAOYSA-N
MW348.14 g/mol
LogP2.23
Rot. Bonds3

About 2-[(2-iodophenyl)carbamoyl-methylamino]propanoic acid

2-[(2-iodophenyl)carbamoyl-methylamino]propanoic acid (PubChem CID 62637000) has the molecular formula C11H13IN2O3 and a molecular weight of 348.14 g/mol. Its IUPAC name is 2-[(2-iodophenyl)carbamoyl-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(2-iodophenyl)carbamoyl-methylamino]propanoic acid
PubChem CID62637000
Molecular FormulaC11H13IN2O3
Molecular Weight348.14 g/mol
Exact Mass348.00
IUPAC Name2-[(2-iodophenyl)carbamoyl-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)Nc1ccccc1I
InChIInChI=1S/C11H13IN2O3/c1-7(10(15)16)14(2)11(17)13-9-6-4-3-5-8(9)12/h3-7H,1-2H3,(H,13,17)(H,15,16)
InChIKeyZXODGGALUYFECU-UHFFFAOYSA-N
XLogP2.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.14
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-ethylphenyl)carbamoyl-methylamino]propanoic acid
CID 55096880
(2S)-2-[methyl(phenylcarbamoyl)amino]propanoic acid
CID 71355606
2-[(2-iodophenyl)carbamoyl-methylamino]benzoic acid
CID 19030577
2-[[2-(2-methoxyethyl)phenyl]carbamoyl-methylamino]propanoic acid
CID 102907053
3-(2-iodophenyl)-1,1-bis(2-methylpropyl)urea
CID 47258185
2-[(2-cyano-3-fluorophenyl)carbamoyl-methylamino]propanoic acid
CID 62639026
2-[(2,4-difluorophenyl)carbamoyl-methylamino]propanoic acid
CID 62627122
(2S)-2-amino-N-(2-iodophenyl)propanamide
CID 28882935
2-[(4-bromo-2-fluorophenyl)carbamoyl-methylamino]propanoic acid
CID 62639550
2-(2-iodoanilino)-3-methylbutanoic acid
CID 103236993
2-[(5-bromo-2-methoxyphenyl)carbamoyl-methylamino]propanoic acid
CID 62639776
1-cyclohexyl-3-(2-iodophenyl)-1-methylurea
CID 108868896

Frequently Asked Questions

What is the IUPAC name of 2-[(2-iodophenyl)carbamoyl-methylamino]propanoic acid?
The IUPAC name of 2-[(2-iodophenyl)carbamoyl-methylamino]propanoic acid (CID 62637000) is 2-[(2-iodophenyl)carbamoyl-methylamino]propanoic acid.
What is the SMILES notation for 2-[(2-iodophenyl)carbamoyl-methylamino]propanoic acid?
The canonical SMILES for 2-[(2-iodophenyl)carbamoyl-methylamino]propanoic acid is CC(C(=O)O)N(C)C(=O)Nc1ccccc1I.
What is the InChIKey of 2-[(2-iodophenyl)carbamoyl-methylamino]propanoic acid?
The InChIKey is ZXODGGALUYFECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN2O3/c1-7(10(15)16)14(2)11(17)13-9-6-4-3-5-8(9)12/h3-7H,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 2-[(2-iodophenyl)carbamoyl-methylamino]propanoic acid?
2-[(2-iodophenyl)carbamoyl-methylamino]propanoic acid has a molecular weight of 348.14 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-iodophenyl)carbamoyl-methylamino]propanoic acid is sourced from PubChem (CID 62637000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).