N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl iodide

C7H13IN2O2 — CID 90231263

IUPACN-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl iodide
SMILESCC(C)C[C@@H](NC(=O)I)C(N)=O
InChIInChI=1S/C7H13IN2O2/c1-4(2)3-5(6(9)11)10-7(8)12/h4-5H,3H2,1-2H3,(H2,9,11)(H,10,12)/t5-/m1/s1
InChIKeyIUOKVPVGLOYNMP-RXMQYKEDSA-N
MW284.10 g/mol
LogP1.03
Rot. Bonds4

About N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl iodide

N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl iodide (PubChem CID 90231263) has the molecular formula C7H13IN2O2 and a molecular weight of 284.10 g/mol. Its IUPAC name is N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl iodide.

Molecular Properties

Compound NameN-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl iodide
PubChem CID90231263
Molecular FormulaC7H13IN2O2
Molecular Weight284.10 g/mol
Exact Mass284.00
IUPAC NameN-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl iodide
SMILESCC(C)C[C@@H](NC(=O)I)C(N)=O
InChIInChI=1S/C7H13IN2O2/c1-4(2)3-5(6(9)11)10-7(8)12/h4-5H,3H2,1-2H3,(H2,9,11)(H,10,12)/t5-/m1/s1
InChIKeyIUOKVPVGLOYNMP-RXMQYKEDSA-N
XLogP1.03
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.10
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-4-methyl-2-(methylamino)pentanamide
CID 89050865
2-(hydroxyamino)-4-methylpentanamide
CID 14584858
chloromethyl N-(1-amino-4-methyl-1-oxopentan-2-yl)carbamate
CID 54384258
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide
CID 7282367
(2S)-4-methyl-2-[[(2S)-4-methyl-2-[(2-sulfanylacetyl)amino]pentanoyl]amino]pentanamide
CID 46882769
(2S)-2-(6-aminohexanoylamino)-4-methylpentanamide
CID 89070507
(2S)-2-(dimethylphosphorylamino)-4-methylpentanamide
CID 59929035
[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-(carboxyamino)-1-oxopropan-2-yl]carbamic acid
CID 138591825
(2S)-4-methyl-2-[(2-pyrrolidin-1-ylacetyl)amino]pentanamide
CID 164701774
2-amino-N-[2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]-4-methylpentanamide
CID 71336548
5-amino-4-(2,4-dimethylpentanoylamino)-5-oxopentanoic acid
CID 170732658
2,4-dimethylpentanamide;N,2,4-trimethylpentanamide
CID 143544198

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl iodide?
The IUPAC name of N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl iodide (CID 90231263) is N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl iodide.
What is the SMILES notation for N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl iodide?
The canonical SMILES for N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl iodide is CC(C)C[C@@H](NC(=O)I)C(N)=O.
What is the InChIKey of N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl iodide?
The InChIKey is IUOKVPVGLOYNMP-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H13IN2O2/c1-4(2)3-5(6(9)11)10-7(8)12/h4-5H,3H2,1-2H3,(H2,9,11)(H,10,12)/t5-/m1/s1.
What are the key properties of N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl iodide?
N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl iodide has a molecular weight of 284.10 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl iodide is sourced from PubChem (CID 90231263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).