(3R)-3-amino-4-oxopentanoyl iodide

C5H8INO2 — CID 154979950

IUPAC(3R)-3-amino-4-oxopentanoyl iodide
SMILESCC(=O)[C@H](N)CC(=O)I
InChIInChI=1S/C5H8INO2/c1-3(8)4(7)2-5(6)9/h4H,2,7H2,1H3/t4-/m1/s1
InChIKeyRKDZQTPBZFRKPN-SCSAIBSYSA-N
MW241.03 g/mol
LogP0.25
Rot. Bonds3

About (3R)-3-amino-4-oxopentanoyl iodide

(3R)-3-amino-4-oxopentanoyl iodide (PubChem CID 154979950) has the molecular formula C5H8INO2 and a molecular weight of 241.03 g/mol. Its IUPAC name is (3R)-3-amino-4-oxopentanoyl iodide.

Molecular Properties

Compound Name(3R)-3-amino-4-oxopentanoyl iodide
PubChem CID154979950
Molecular FormulaC5H8INO2
Molecular Weight241.03 g/mol
Exact Mass240.96
IUPAC Name(3R)-3-amino-4-oxopentanoyl iodide
SMILESCC(=O)[C@H](N)CC(=O)I
InChIInChI=1S/C5H8INO2/c1-3(8)4(7)2-5(6)9/h4H,2,7H2,1H3/t4-/m1/s1
InChIKeyRKDZQTPBZFRKPN-SCSAIBSYSA-N
XLogP0.25
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.03
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-aminoheptane-2,5-dione
CID 157124748
(3S)-3-amino-3-hydroxypropanoyl iodide
CID 167105625
(3S)-3-amino-4-hydroxybutan-2-one
CID 91337493
3-amino-3-hydroxypropanoyl iodide
CID 163713286
(3S,8S)-3,8-diaminodecane-2,9-dione
CID 155082610
(3R)-3-amino-4-sulfanylbutan-2-one;methane
CID 160825697
3-amino-5,5-dihydroxypentan-2-one
CID 20668323
3-amino-4-methylsulfanylbutan-2-one
CID 20644498
(Z,3S,8S)-3,8-diaminodec-5-ene-2,9-dione
CID 166997414
3-amino-5-deuteriopentan-2-one
CID 59946344
(3S)-3-amino-6-methylheptan-2-one
CID 88561356
3-amino-6,6-dihydroxyhexan-2-one
CID 91613059

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-oxopentanoyl iodide?
The IUPAC name of (3R)-3-amino-4-oxopentanoyl iodide (CID 154979950) is (3R)-3-amino-4-oxopentanoyl iodide.
What is the SMILES notation for (3R)-3-amino-4-oxopentanoyl iodide?
The canonical SMILES for (3R)-3-amino-4-oxopentanoyl iodide is CC(=O)[C@H](N)CC(=O)I.
What is the InChIKey of (3R)-3-amino-4-oxopentanoyl iodide?
The InChIKey is RKDZQTPBZFRKPN-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H8INO2/c1-3(8)4(7)2-5(6)9/h4H,2,7H2,1H3/t4-/m1/s1.
What are the key properties of (3R)-3-amino-4-oxopentanoyl iodide?
(3R)-3-amino-4-oxopentanoyl iodide has a molecular weight of 241.03 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-oxopentanoyl iodide is sourced from PubChem (CID 154979950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).