tert-butyl N-[(2S)-1-iodo-3-methylbutan-2-yl]carbamate

C10H20INO2 — CID 11141505

IUPACtert-butyl N-[(2S)-1-iodo-3-methylbutan-2-yl]carbamate
SMILESCC(C)[C@@H](CI)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H20INO2/c1-7(2)8(6-11)12-9(13)14-10(3,4)5/h7-8H,6H2,1-5H3,(H,12,13)/t8-/m1/s1
InChIKeyXBOPXPWVPIOUTD-MRVPVSSYSA-N
MW313.18 g/mol
LogP2.97
Rot. Bonds3

About tert-butyl N-[(2S)-1-iodo-3-methylbutan-2-yl]carbamate

tert-butyl N-[(2S)-1-iodo-3-methylbutan-2-yl]carbamate (PubChem CID 11141505) has the molecular formula C10H20INO2 and a molecular weight of 313.18 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-iodo-3-methylbutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-iodo-3-methylbutan-2-yl]carbamate
PubChem CID11141505
Molecular FormulaC10H20INO2
Molecular Weight313.18 g/mol
Exact Mass313.05
IUPAC Nametert-butyl N-[(2S)-1-iodo-3-methylbutan-2-yl]carbamate
SMILESCC(C)[C@@H](CI)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H20INO2/c1-7(2)8(6-11)12-9(13)14-10(3,4)5/h7-8H,6H2,1-5H3,(H,12,13)/t8-/m1/s1
InChIKeyXBOPXPWVPIOUTD-MRVPVSSYSA-N
XLogP2.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 52.97
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'}

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Related Compounds

tert-butyl N-[(2S)-3-methyl-1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]selanylbutan-2-yl]carbamate
CID 102155878
tert-butyl N-[(2R)-3-methyl-1-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]diselanyl]butan-2-yl]carbamate
CID 139264879
tert-butyl N-[(2R)-3-methyl-1-sulfanylbutan-2-yl]carbamate
CID 87477260
tert-butyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 59077105
tert-butyl (3R)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 11594439
tert-butyl N-(1,1,1-trifluoro-4-methylpentan-3-yl)carbamate
CID 58898105
tert-butyl N-(6-hydroxy-2-methylhexan-3-yl)carbamate
CID 85361327
tert-butyl N-(1-cyano-3-methylbutan-2-yl)carbamate
CID 85303813
tert-butyl N-[(3R)-6-bromo-2-methyl-5-oxohexan-3-yl]carbamate
CID 170910641
tert-butyl N-[(2R,3S)-1,3-dihydroxy-4-methylpentan-2-yl]carbamate
CID 14310881
tert-butyl N-[2-methyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]heptan-3-yl]carbamate
CID 139570514
N-(1-iodo-3-methylbutan-2-yl)propanamide
CID 107860016

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-iodo-3-methylbutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-iodo-3-methylbutan-2-yl]carbamate (CID 11141505) is tert-butyl N-[(2S)-1-iodo-3-methylbutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-iodo-3-methylbutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-iodo-3-methylbutan-2-yl]carbamate is CC(C)[C@@H](CI)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-1-iodo-3-methylbutan-2-yl]carbamate?
The InChIKey is XBOPXPWVPIOUTD-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H20INO2/c1-7(2)8(6-11)12-9(13)14-10(3,4)5/h7-8H,6H2,1-5H3,(H,12,13)/t8-/m1/s1.
What are the key properties of tert-butyl N-[(2S)-1-iodo-3-methylbutan-2-yl]carbamate?
tert-butyl N-[(2S)-1-iodo-3-methylbutan-2-yl]carbamate has a molecular weight of 313.18 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-iodo-3-methylbutan-2-yl]carbamate is sourced from PubChem (CID 11141505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).