(2S)-5-amino-4-iodo-2-methyl-5-oxopentanoic acid

C6H10INO3 — CID 163867560

IUPAC(2S)-5-amino-4-iodo-2-methyl-5-oxopentanoic acid
SMILESC[C@@H](CC(I)C(N)=O)C(=O)O
InChIInChI=1S/C6H10INO3/c1-3(6(10)11)2-4(7)5(8)9/h3-4H,2H2,1H3,(H2,8,9)(H,10,11)/t3-,4?/m0/s1
InChIKeyPHYQYPMSZLRMCK-WUCPZUCCSA-N
MW271.05 g/mol
LogP0.39
Rot. Bonds4

About (2S)-5-amino-4-iodo-2-methyl-5-oxopentanoic acid

(2S)-5-amino-4-iodo-2-methyl-5-oxopentanoic acid (PubChem CID 163867560) has the molecular formula C6H10INO3 and a molecular weight of 271.05 g/mol. Its IUPAC name is (2S)-5-amino-4-iodo-2-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-4-iodo-2-methyl-5-oxopentanoic acid
PubChem CID163867560
Molecular FormulaC6H10INO3
Molecular Weight271.05 g/mol
Exact Mass270.97
IUPAC Name(2S)-5-amino-4-iodo-2-methyl-5-oxopentanoic acid
SMILESC[C@@H](CC(I)C(N)=O)C(=O)O
InChIInChI=1S/C6H10INO3/c1-3(6(10)11)2-4(7)5(8)9/h3-4H,2H2,1H3,(H2,8,9)(H,10,11)/t3-,4?/m0/s1
InChIKeyPHYQYPMSZLRMCK-WUCPZUCCSA-N
XLogP0.39
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.05
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-carbamoyl-2-methylhexanoic acid
CID 20783257
4-amino-2-methylpentanoic acid
CID 22105024
4,6-dicarbamoyl-2-methyloctanoic acid
CID 89382059
3-amino-2-methylpropanamide;3-amino-2-methylpropanoic acid
CID 161117685
4-amino-2-iodopentanoic acid
CID 163563587
4-amino-2-methylbutanoic acid
CID 3759025
6-amino-2-methyl-4-sulfanylhexanoic acid
CID 139712769
1-hydroxypentane-1,2,4-tricarboxylic acid
CID 159403665
(2R)-2,5-diamino-4-methyl-5-oxopentanoic acid
CID 87695522
2,5-diamino-4-methyl-5-oxopentanoic acid
CID 19418247
(2S,4S,6R)-6-amino-2,4-dimethylheptanoic acid
CID 94036784
4-(aminomethyl)-2-methylhexanoic acid
CID 177106642

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-4-iodo-2-methyl-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-4-iodo-2-methyl-5-oxopentanoic acid (CID 163867560) is (2S)-5-amino-4-iodo-2-methyl-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-4-iodo-2-methyl-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-4-iodo-2-methyl-5-oxopentanoic acid is C[C@@H](CC(I)C(N)=O)C(=O)O.
What is the InChIKey of (2S)-5-amino-4-iodo-2-methyl-5-oxopentanoic acid?
The InChIKey is PHYQYPMSZLRMCK-WUCPZUCCSA-N. The full InChI is InChI=1S/C6H10INO3/c1-3(6(10)11)2-4(7)5(8)9/h3-4H,2H2,1H3,(H2,8,9)(H,10,11)/t3-,4?/m0/s1.
What are the key properties of (2S)-5-amino-4-iodo-2-methyl-5-oxopentanoic acid?
(2S)-5-amino-4-iodo-2-methyl-5-oxopentanoic acid has a molecular weight of 271.05 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-4-iodo-2-methyl-5-oxopentanoic acid is sourced from PubChem (CID 163867560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).