iodomethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

C11H20INO4 — CID 18629472

IUPACiodomethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESCC(C)(C)OC(=O)NCCCCC(=O)OCI
InChIInChI=1S/C11H20INO4/c1-11(2,3)17-10(15)13-7-5-4-6-9(14)16-8-12/h4-8H2,1-3H3,(H,13,15)
InChIKeySPLCVQBYEDVOHQ-UHFFFAOYSA-N
MW357.19 g/mol
LogP2.62
Rot. Bonds6

About iodomethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

iodomethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (PubChem CID 18629472) has the molecular formula C11H20INO4 and a molecular weight of 357.19 g/mol. Its IUPAC name is iodomethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.

Molecular Properties

Compound Nameiodomethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
PubChem CID18629472
Molecular FormulaC11H20INO4
Molecular Weight357.19 g/mol
Exact Mass357.04
IUPAC Nameiodomethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESCC(C)(C)OC(=O)NCCCCC(=O)OCI
InChIInChI=1S/C11H20INO4/c1-11(2,3)17-10(15)13-7-5-4-6-9(14)16-8-12/h4-8H2,1-3H3,(H,13,15)
InChIKeySPLCVQBYEDVOHQ-UHFFFAOYSA-N
XLogP2.62
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.19
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-(iodomethoxycarbonylamino)propyl]carbamate
CID 18629483
bis[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl] butanedioate
CID 175487122
methyl 6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-6-oxohexanoate
CID 164886523
3-methylpentyl 8-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]octanoate
CID 175617289
dodecanoyl 12-[(2-methylpropan-2-yl)oxycarbonylamino]dodecanoate
CID 88506811
tert-butyl 20-(chloromethoxycarbonylamino)icosanoate
CID 177225136
6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxohexanoic acid
CID 91098300
tert-butyl N-(12-bromododecyl)carbamate
CID 4206147
tert-butyl N-[5-(hydroxymethylamino)-5-oxopentyl]carbamate
CID 91124608
tert-butyl N-[4-(3-aminopropanoylamino)butyl]carbamate
CID 175666351
tert-butyl N-[6-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]hexyl]carbamate
CID 15570048
tert-butyl N-[5-(6-aminohexanoylamino)pentyl]carbamate
CID 18941878

Frequently Asked Questions

What is the IUPAC name of iodomethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The IUPAC name of iodomethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (CID 18629472) is iodomethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.
What is the SMILES notation for iodomethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The canonical SMILES for iodomethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is CC(C)(C)OC(=O)NCCCCC(=O)OCI.
What is the InChIKey of iodomethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The InChIKey is SPLCVQBYEDVOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20INO4/c1-11(2,3)17-10(15)13-7-5-4-6-9(14)16-8-12/h4-8H2,1-3H3,(H,13,15).
What are the key properties of iodomethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
iodomethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate has a molecular weight of 357.19 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iodomethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is sourced from PubChem (CID 18629472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).