benzyl N-[(2R)-1-iodopropan-2-yl]carbamate

C11H14INO2 — CID 11631115

IUPACbenzyl N-[(2R)-1-iodopropan-2-yl]carbamate
SMILESC[C@H](CI)NC(=O)OCc1ccccc1
InChIInChI=1S/C11H14INO2/c1-9(7-12)13-11(14)15-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeyNTUAECGJTISEEG-SECBINFHSA-N
MW319.14 g/mol
LogP2.74
Rot. Bonds4

About benzyl N-[(2R)-1-iodopropan-2-yl]carbamate

benzyl N-[(2R)-1-iodopropan-2-yl]carbamate (PubChem CID 11631115) has the molecular formula C11H14INO2 and a molecular weight of 319.14 g/mol. Its IUPAC name is benzyl N-[(2R)-1-iodopropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2R)-1-iodopropan-2-yl]carbamate
PubChem CID11631115
Molecular FormulaC11H14INO2
Molecular Weight319.14 g/mol
Exact Mass319.01
IUPAC Namebenzyl N-[(2R)-1-iodopropan-2-yl]carbamate
SMILESC[C@H](CI)NC(=O)OCc1ccccc1
InChIInChI=1S/C11H14INO2/c1-9(7-12)13-11(14)15-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeyNTUAECGJTISEEG-SECBINFHSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.14
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze benzyl N-[(2R)-1-iodopropan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[1-(2-phenylmethoxyethoxy)propan-2-yl]carbamate
CID 146517395
benzyl N-(4-hydroxy-4-methylpentan-2-yl)carbamate
CID 131182059
benzyl N-pent-4-en-2-ylcarbamate
CID 50916610
benzyl N-[(2S)-butan-2-yl]carbamate;(2S)-butan-2-amine;deuterium monohydride
CID 160578481
benzyl N-(3-oxobutan-2-yl)carbamate
CID 18726564
benzyl N-(3-methylbutan-2-yl)carbamate;ethane
CID 145481818
benzyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 59895800
benzyl N-[(2R)-4-(benzylamino)-4-oxobutan-2-yl]carbamate
CID 102063559
benzyl N-(4-carbamoylpent-4-en-2-yl)carbamate
CID 18380110
benzyl N-(4-methylheptan-2-yl)carbamate
CID 123859243
methyl 3-oxo-5-(phenylmethoxycarbonylamino)hexanoate
CID 155487185
benzyl N-[1-[(2-methylpropan-2-yl)oxy]propan-2-yl]carbamate;formic acid
CID 143574648

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R)-1-iodopropan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2R)-1-iodopropan-2-yl]carbamate (CID 11631115) is benzyl N-[(2R)-1-iodopropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2R)-1-iodopropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2R)-1-iodopropan-2-yl]carbamate is C[C@H](CI)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2R)-1-iodopropan-2-yl]carbamate?
The InChIKey is NTUAECGJTISEEG-SECBINFHSA-N. The full InChI is InChI=1S/C11H14INO2/c1-9(7-12)13-11(14)15-8-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,13,14)/t9-/m1/s1.
What are the key properties of benzyl N-[(2R)-1-iodopropan-2-yl]carbamate?
benzyl N-[(2R)-1-iodopropan-2-yl]carbamate has a molecular weight of 319.14 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2R)-1-iodopropan-2-yl]carbamate is sourced from PubChem (CID 11631115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).