2-[cyclopropyl-[(2-iodophenyl)carbamoyl]amino]acetic acid

C12H13IN2O3 — CID 54978431

IUPAC2-[cyclopropyl-[(2-iodophenyl)carbamoyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)Nc1ccccc1I)C1CC1
InChIInChI=1S/C12H13IN2O3/c13-9-3-1-2-4-10(9)14-12(18)15(7-11(16)17)8-5-6-8/h1-4,8H,5-7H2,(H,14,18)(H,16,17)
InChIKeyJNHPAJYLPLBUIU-UHFFFAOYSA-N
MW360.15 g/mol
LogP2.37
Rot. Bonds4

About 2-[cyclopropyl-[(2-iodophenyl)carbamoyl]amino]acetic acid

2-[cyclopropyl-[(2-iodophenyl)carbamoyl]amino]acetic acid (PubChem CID 54978431) has the molecular formula C12H13IN2O3 and a molecular weight of 360.15 g/mol. Its IUPAC name is 2-[cyclopropyl-[(2-iodophenyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[(2-iodophenyl)carbamoyl]amino]acetic acid
PubChem CID54978431
Molecular FormulaC12H13IN2O3
Molecular Weight360.15 g/mol
Exact Mass360.00
IUPAC Name2-[cyclopropyl-[(2-iodophenyl)carbamoyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)Nc1ccccc1I)C1CC1
InChIInChI=1S/C12H13IN2O3/c13-9-3-1-2-4-10(9)14-12(18)15(7-11(16)17)8-5-6-8/h1-4,8H,5-7H2,(H,14,18)(H,16,17)
InChIKeyJNHPAJYLPLBUIU-UHFFFAOYSA-N
XLogP2.37
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.15
LogP ≤ 52.37
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-bromophenyl)carbamoyl-cyclopropylamino]acetic acid
CID 54978712
2-[(2-bromophenyl)carbamoyl-cyclopentylamino]acetic acid
CID 61190150
2-[(3-chloro-2-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid
CID 54978717
2-[cyclopropyl-[(2,5-dimethylphenyl)carbamoyl]amino]acetic acid
CID 54978482
2-[cyclopropyl-[(2,4-dibromophenyl)carbamoyl]amino]acetic acid
CID 54983981
2-[2-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid
CID 62534801
1-cyclohexyl-3-(2-iodophenyl)-1-methylurea
CID 108868896
2-[cyclopropyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]acetic acid
CID 61181181
2-[(2-chloro-4-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid
CID 54978336
2-[cyclopropyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid
CID 54978295
2-[(2-bromo-4-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid
CID 54978668
2-[(3-bromophenyl)carbamoyl-cyclopropylamino]acetic acid
CID 54978714

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(2-iodophenyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[(2-iodophenyl)carbamoyl]amino]acetic acid (CID 54978431) is 2-[cyclopropyl-[(2-iodophenyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[(2-iodophenyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[(2-iodophenyl)carbamoyl]amino]acetic acid is O=C(O)CN(C(=O)Nc1ccccc1I)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[(2-iodophenyl)carbamoyl]amino]acetic acid?
The InChIKey is JNHPAJYLPLBUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IN2O3/c13-9-3-1-2-4-10(9)14-12(18)15(7-11(16)17)8-5-6-8/h1-4,8H,5-7H2,(H,14,18)(H,16,17).
What are the key properties of 2-[cyclopropyl-[(2-iodophenyl)carbamoyl]amino]acetic acid?
2-[cyclopropyl-[(2-iodophenyl)carbamoyl]amino]acetic acid has a molecular weight of 360.15 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(2-iodophenyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 54978431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).