tert-butyl N-(3-amino-2-iodopropyl)carbamate

C8H17IN2O2 — CID 118190466

IUPACtert-butyl N-(3-amino-2-iodopropyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(I)CN
InChIInChI=1S/C8H17IN2O2/c1-8(2,3)13-7(12)11-5-6(9)4-10/h6H,4-5,10H2,1-3H3,(H,11,12)
InChIKeyIGNLJJLBROGVRA-UHFFFAOYSA-N
MW300.14 g/mol
LogP1.27
Rot. Bonds3

About tert-butyl N-(3-amino-2-iodopropyl)carbamate

tert-butyl N-(3-amino-2-iodopropyl)carbamate (PubChem CID 118190466) has the molecular formula C8H17IN2O2 and a molecular weight of 300.14 g/mol. Its IUPAC name is tert-butyl N-(3-amino-2-iodopropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-amino-2-iodopropyl)carbamate
PubChem CID118190466
Molecular FormulaC8H17IN2O2
Molecular Weight300.14 g/mol
Exact Mass300.03
IUPAC Nametert-butyl N-(3-amino-2-iodopropyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(I)CN
InChIInChI=1S/C8H17IN2O2/c1-8(2,3)13-7(12)11-5-6(9)4-10/h6H,4-5,10H2,1-3H3,(H,11,12)
InChIKeyIGNLJJLBROGVRA-UHFFFAOYSA-N
XLogP1.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-iodo-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 103493270
tert-butyl N-[(2R)-2-aminopropyl]carbamate
CID 45072491
tert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride
CID 53484846
tert-butyl N-(3-amino-2-cyclopropylpropyl)carbamate
CID 84723673
tert-butyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 4114359
tert-butyl N-(2-amino-3-methylbutyl)carbamate
CID 71437538
tert-butyl N-[(2R)-2-amino-3-oxobutyl]carbamate
CID 170234011
tert-butyl N-ethylcarbamate;hydroxylamine
CID 21286916
tert-butyl N-(2-hydroxy-2-sulfanylethyl)carbamate
CID 155160397
methyl 2-bromo-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 75525942
tert-butyl N-[(2S)-4-amino-2-hydroxy-4-oxobutyl]carbamate
CID 130640432
tert-butyl N-(4-amino-2-methoxybutyl)carbamate
CID 117273632

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-amino-2-iodopropyl)carbamate?
The IUPAC name of tert-butyl N-(3-amino-2-iodopropyl)carbamate (CID 118190466) is tert-butyl N-(3-amino-2-iodopropyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-amino-2-iodopropyl)carbamate?
The canonical SMILES for tert-butyl N-(3-amino-2-iodopropyl)carbamate is CC(C)(C)OC(=O)NCC(I)CN.
What is the InChIKey of tert-butyl N-(3-amino-2-iodopropyl)carbamate?
The InChIKey is IGNLJJLBROGVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17IN2O2/c1-8(2,3)13-7(12)11-5-6(9)4-10/h6H,4-5,10H2,1-3H3,(H,11,12).
What are the key properties of tert-butyl N-(3-amino-2-iodopropyl)carbamate?
tert-butyl N-(3-amino-2-iodopropyl)carbamate has a molecular weight of 300.14 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-amino-2-iodopropyl)carbamate is sourced from PubChem (CID 118190466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).