methyl 2-(2-iodopropylamino)acetate

C6H12INO2 — CID 163571817

IUPACmethyl 2-(2-iodopropylamino)acetate
SMILESCOC(=O)CNCC(C)I
InChIInChI=1S/C6H12INO2/c1-5(7)3-8-4-6(9)10-2/h5,8H,3-4H2,1-2H3
InChIKeyFZZURPYSRPZZRV-UHFFFAOYSA-N
MW257.07 g/mol
LogP0.57
Rot. Bonds4

About methyl 2-(2-iodopropylamino)acetate

methyl 2-(2-iodopropylamino)acetate (PubChem CID 163571817) has the molecular formula C6H12INO2 and a molecular weight of 257.07 g/mol. Its IUPAC name is methyl 2-(2-iodopropylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(2-iodopropylamino)acetate
PubChem CID163571817
Molecular FormulaC6H12INO2
Molecular Weight257.07 g/mol
Exact Mass256.99
IUPAC Namemethyl 2-(2-iodopropylamino)acetate
SMILESCOC(=O)CNCC(C)I
InChIInChI=1S/C6H12INO2/c1-5(7)3-8-4-6(9)10-2/h5,8H,3-4H2,1-2H3
InChIKeyFZZURPYSRPZZRV-UHFFFAOYSA-N
XLogP0.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.07
LogP ≤ 50.57
H-Bond Donors ≤ 51
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

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methyl 2-(2-aminopropylamino)acetate
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methyl 2-[(2-amino-4-methylpentyl)amino]acetate;hydrochloride
CID 90032221
methyl 2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]acetate
CID 60904481
ethane;methyl 2-(2-hydroxyethylamino)acetate
CID 178001522
methyl 2-(2-aminoethylamino)acetate;dihydrochloride
CID 22364296
methyl 2-(2-heptylundecylamino)acetate
CID 158259283
methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetate
CID 60687550
methyl 2-[(2-cyano-3,3,3-trifluoropropyl)amino]acetate
CID 103366879
methyl 2-[[(2S)-2,3,4-trideuterio-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]acetate
CID 123260259
methyl 2-[(3-hydroxy-3-methylbutyl)amino]acetate
CID 79360422

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-iodopropylamino)acetate?
The IUPAC name of methyl 2-(2-iodopropylamino)acetate (CID 163571817) is methyl 2-(2-iodopropylamino)acetate.
What is the SMILES notation for methyl 2-(2-iodopropylamino)acetate?
The canonical SMILES for methyl 2-(2-iodopropylamino)acetate is COC(=O)CNCC(C)I.
What is the InChIKey of methyl 2-(2-iodopropylamino)acetate?
The InChIKey is FZZURPYSRPZZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12INO2/c1-5(7)3-8-4-6(9)10-2/h5,8H,3-4H2,1-2H3.
What are the key properties of methyl 2-(2-iodopropylamino)acetate?
methyl 2-(2-iodopropylamino)acetate has a molecular weight of 257.07 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-iodopropylamino)acetate is sourced from PubChem (CID 163571817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).