(2-iodophenyl)-[(2S)-2-methoxypropyl]carbamic acid

C11H14INO3 — CID 90422752

IUPAC(2-iodophenyl)-[(2S)-2-methoxypropyl]carbamic acid
SMILESCO[C@@H](C)CN(C(=O)O)c1ccccc1I
InChIInChI=1S/C11H14INO3/c1-8(16-2)7-13(11(14)15)10-6-4-3-5-9(10)12/h3-6,8H,7H2,1-2H3,(H,14,15)/t8-/m0/s1
InChIKeyANCHREPBVWTIPC-QMMMGPOBSA-N
MW335.14 g/mol
LogP2.81
Rot. Bonds4

About (2-iodophenyl)-[(2S)-2-methoxypropyl]carbamic acid

(2-iodophenyl)-[(2S)-2-methoxypropyl]carbamic acid (PubChem CID 90422752) has the molecular formula C11H14INO3 and a molecular weight of 335.14 g/mol. Its IUPAC name is (2-iodophenyl)-[(2S)-2-methoxypropyl]carbamic acid.

Molecular Properties

Compound Name(2-iodophenyl)-[(2S)-2-methoxypropyl]carbamic acid
PubChem CID90422752
Molecular FormulaC11H14INO3
Molecular Weight335.14 g/mol
Exact Mass335.00
IUPAC Name(2-iodophenyl)-[(2S)-2-methoxypropyl]carbamic acid
SMILESCO[C@@H](C)CN(C(=O)O)c1ccccc1I
InChIInChI=1S/C11H14INO3/c1-8(16-2)7-13(11(14)15)10-6-4-3-5-9(10)12/h3-6,8H,7H2,1-2H3,(H,14,15)/t8-/m0/s1
InChIKeyANCHREPBVWTIPC-QMMMGPOBSA-N
XLogP2.81
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.14
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-iodobenzoic acid;3-methoxybutanoic acid
CID 159294004
N-benzyl-N-(2-iodophenyl)-2-methyl-2-phenylpropanamide
CID 165178391
N-(2-iodophenyl)-N,2-dimethylpropanamide
CID 11483497
N-benzyl-4-(dimethylamino)-N-(2-iodophenyl)benzamide
CID 134974389
[(2R)-1-[benzyl(methyl)amino]propan-2-yl] 2-iodobenzoate
CID 989930
2-(2-methylprop-2-enoyloxy)propyl-phenylcarbamic acid
CID 23221364
tert-butyl N-(2-iodophenyl)-N-propylcarbamate
CID 165178423
N-but-2-ynyl-N-(2-iodophenyl)benzamide
CID 14943562
N-ethyl-N-(2-iodophenyl)-3-phenylprop-2-enamide
CID 165178394
N-but-2-enyl-N-(2-iodophenyl)acetamide
CID 135080024
ethyl-(2-propan-2-yloxyphenyl)carbamic acid
CID 57185215
3-(2-iodophenyl)-2-methoxypropanoic acid
CID 70425557

Frequently Asked Questions

What is the IUPAC name of (2-iodophenyl)-[(2S)-2-methoxypropyl]carbamic acid?
The IUPAC name of (2-iodophenyl)-[(2S)-2-methoxypropyl]carbamic acid (CID 90422752) is (2-iodophenyl)-[(2S)-2-methoxypropyl]carbamic acid.
What is the SMILES notation for (2-iodophenyl)-[(2S)-2-methoxypropyl]carbamic acid?
The canonical SMILES for (2-iodophenyl)-[(2S)-2-methoxypropyl]carbamic acid is CO[C@@H](C)CN(C(=O)O)c1ccccc1I.
What is the InChIKey of (2-iodophenyl)-[(2S)-2-methoxypropyl]carbamic acid?
The InChIKey is ANCHREPBVWTIPC-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14INO3/c1-8(16-2)7-13(11(14)15)10-6-4-3-5-9(10)12/h3-6,8H,7H2,1-2H3,(H,14,15)/t8-/m0/s1.
What are the key properties of (2-iodophenyl)-[(2S)-2-methoxypropyl]carbamic acid?
(2-iodophenyl)-[(2S)-2-methoxypropyl]carbamic acid has a molecular weight of 335.14 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodophenyl)-[(2S)-2-methoxypropyl]carbamic acid is sourced from PubChem (CID 90422752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).