cyclopropylmethyl 2-amino-5-iodobenzoate

C11H12INO2 — CID 63111531

IUPACcyclopropylmethyl 2-amino-5-iodobenzoate
SMILESNc1ccc(I)cc1C(=O)OCC1CC1
InChIInChI=1S/C11H12INO2/c12-8-3-4-10(13)9(5-8)11(14)15-6-7-1-2-7/h3-5,7H,1-2,6,13H2
InChIKeySMHPCJRMTRVITC-UHFFFAOYSA-N
MW317.13 g/mol
LogP2.44
Rot. Bonds3

About cyclopropylmethyl 2-amino-5-iodobenzoate

cyclopropylmethyl 2-amino-5-iodobenzoate (PubChem CID 63111531) has the molecular formula C11H12INO2 and a molecular weight of 317.13 g/mol. Its IUPAC name is cyclopropylmethyl 2-amino-5-iodobenzoate.

Molecular Properties

Compound Namecyclopropylmethyl 2-amino-5-iodobenzoate
PubChem CID63111531
Molecular FormulaC11H12INO2
Molecular Weight317.13 g/mol
Exact Mass316.99
IUPAC Namecyclopropylmethyl 2-amino-5-iodobenzoate
SMILESNc1ccc(I)cc1C(=O)OCC1CC1
InChIInChI=1S/C11H12INO2/c12-8-3-4-10(13)9(5-8)11(14)15-6-7-1-2-7/h3-5,7H,1-2,6,13H2
InChIKeySMHPCJRMTRVITC-UHFFFAOYSA-N
XLogP2.44
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.13
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cyclopropylmethyl 2-amino-5-hydroxybenzoate
CID 61405748
cycloheptyl 2-amino-5-iodobenzoate
CID 63541722
3-(2-methoxyethoxy)propyl 2-amino-5-iodobenzoate
CID 103403140
cyclopropylmethyl 2-amino-4-chlorobenzoate
CID 28690164
oxan-4-yl 2-amino-5-iodobenzoate
CID 63111543
azane;methyl 2-amino-5-iodobenzoate
CID 122622802
2-ethoxyethyl 2-amino-5-iodobenzoate
CID 63111541
2-(2-methoxyethoxy)ethyl 2-amino-5-iodobenzoate
CID 112548868
2-phenylethyl 2-amino-5-iodobenzoate
CID 44829093
methyl 2-(cyclopropylmethoxy)-5-iodobenzoate
CID 59193408
cyclopentylmethyl 4-amino-2-hydroxybenzoate
CID 66323288
(1-methylpiperidin-1-ium-4-yl)methyl 2,3,5-triiodobenzoate
CID 155784594

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 2-amino-5-iodobenzoate?
The IUPAC name of cyclopropylmethyl 2-amino-5-iodobenzoate (CID 63111531) is cyclopropylmethyl 2-amino-5-iodobenzoate.
What is the SMILES notation for cyclopropylmethyl 2-amino-5-iodobenzoate?
The canonical SMILES for cyclopropylmethyl 2-amino-5-iodobenzoate is Nc1ccc(I)cc1C(=O)OCC1CC1.
What is the InChIKey of cyclopropylmethyl 2-amino-5-iodobenzoate?
The InChIKey is SMHPCJRMTRVITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12INO2/c12-8-3-4-10(13)9(5-8)11(14)15-6-7-1-2-7/h3-5,7H,1-2,6,13H2.
What are the key properties of cyclopropylmethyl 2-amino-5-iodobenzoate?
cyclopropylmethyl 2-amino-5-iodobenzoate has a molecular weight of 317.13 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 2-amino-5-iodobenzoate is sourced from PubChem (CID 63111531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).