methyl 3-(2,3-dimethylbutanoylamino)-2-iodopropanoate

C10H18INO3 — CID 103493307

IUPACmethyl 3-(2,3-dimethylbutanoylamino)-2-iodopropanoate
SMILESCOC(=O)C(I)CNC(=O)C(C)C(C)C
InChIInChI=1S/C10H18INO3/c1-6(2)7(3)9(13)12-5-8(11)10(14)15-4/h6-8H,5H2,1-4H3,(H,12,13)
InChIKeyAOQNIILFIKBNOQ-UHFFFAOYSA-N
MW327.16 g/mol
LogP1.37
Rot. Bonds5

About methyl 3-(2,3-dimethylbutanoylamino)-2-iodopropanoate

methyl 3-(2,3-dimethylbutanoylamino)-2-iodopropanoate (PubChem CID 103493307) has the molecular formula C10H18INO3 and a molecular weight of 327.16 g/mol. Its IUPAC name is methyl 3-(2,3-dimethylbutanoylamino)-2-iodopropanoate.

Molecular Properties

Compound Namemethyl 3-(2,3-dimethylbutanoylamino)-2-iodopropanoate
PubChem CID103493307
Molecular FormulaC10H18INO3
Molecular Weight327.16 g/mol
Exact Mass327.03
IUPAC Namemethyl 3-(2,3-dimethylbutanoylamino)-2-iodopropanoate
SMILESCOC(=O)C(I)CNC(=O)C(C)C(C)C
InChIInChI=1S/C10H18INO3/c1-6(2)7(3)9(13)12-5-8(11)10(14)15-4/h6-8H,5H2,1-4H3,(H,12,13)
InChIKeyAOQNIILFIKBNOQ-UHFFFAOYSA-N
XLogP1.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.16
LogP ≤ 51.37
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

methyl 2-iodo-3-(propan-2-ylsulfonylamino)propanoate
CID 103493657
2-[(2,3-dimethylbutanoylamino)methyl]-3-methylbutanoic acid
CID 65219944
methyl 3-[(3-amino-2-methylbutanoyl)amino]-2-methylpropanoate;hydrochloride
CID 120500179
methyl 2-iodo-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 103493270
N-(3-amino-2,2-dimethylpropyl)-2,3-dimethylbutanamide
CID 115365699
(2R)-2,3-dimethyl-N-(sulfanylmethyl)butanamide
CID 163905710
3-amino-N-(2-methoxy-3,3-dimethylbutyl)-2-methylbutanamide;hydrochloride
CID 120502078
N-(2-bromo-4,4-dimethylpentyl)-2,3-dimethylbutanamide
CID 107156655
methyl 2,4,4-triiodobutanoate
CID 13086506
methyl 2-iodo-3-[(3-methylbenzoyl)amino]propanoate
CID 103493403
methyl 2-iodo-3-(2-methoxyethylamino)propanoate
CID 103492044
methyl 3-(2-aminopropanoylamino)-2-hydroxypropanoate
CID 103846044

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,3-dimethylbutanoylamino)-2-iodopropanoate?
The IUPAC name of methyl 3-(2,3-dimethylbutanoylamino)-2-iodopropanoate (CID 103493307) is methyl 3-(2,3-dimethylbutanoylamino)-2-iodopropanoate.
What is the SMILES notation for methyl 3-(2,3-dimethylbutanoylamino)-2-iodopropanoate?
The canonical SMILES for methyl 3-(2,3-dimethylbutanoylamino)-2-iodopropanoate is COC(=O)C(I)CNC(=O)C(C)C(C)C.
What is the InChIKey of methyl 3-(2,3-dimethylbutanoylamino)-2-iodopropanoate?
The InChIKey is AOQNIILFIKBNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18INO3/c1-6(2)7(3)9(13)12-5-8(11)10(14)15-4/h6-8H,5H2,1-4H3,(H,12,13).
What are the key properties of methyl 3-(2,3-dimethylbutanoylamino)-2-iodopropanoate?
methyl 3-(2,3-dimethylbutanoylamino)-2-iodopropanoate has a molecular weight of 327.16 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,3-dimethylbutanoylamino)-2-iodopropanoate is sourced from PubChem (CID 103493307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).