4-amino-2-iodopentanoic acid

C5H10INO2 — CID 163563587

IUPAC4-amino-2-iodopentanoic acid
SMILESCC(N)CC(I)C(=O)O
InChIInChI=1S/C5H10INO2/c1-3(7)2-4(6)5(8)9/h3-4H,2,7H2,1H3,(H,8,9)
InChIKeyFTIIFBSFBRZQHN-UHFFFAOYSA-N
MW243.04 g/mol
LogP0.61
Rot. Bonds3

About 4-amino-2-iodopentanoic acid

4-amino-2-iodopentanoic acid (PubChem CID 163563587) has the molecular formula C5H10INO2 and a molecular weight of 243.04 g/mol. Its IUPAC name is 4-amino-2-iodopentanoic acid.

Molecular Properties

Compound Name4-amino-2-iodopentanoic acid
PubChem CID163563587
Molecular FormulaC5H10INO2
Molecular Weight243.04 g/mol
Exact Mass242.98
IUPAC Name4-amino-2-iodopentanoic acid
SMILESCC(N)CC(I)C(=O)O
InChIInChI=1S/C5H10INO2/c1-3(7)2-4(6)5(8)9/h3-4H,2,7H2,1H3,(H,8,9)
InChIKeyFTIIFBSFBRZQHN-UHFFFAOYSA-N
XLogP0.61
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.04
LogP ≤ 50.61
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-Aminobutyric Acid
CID 223130
4-Aminovaleric acid, (R)-
CID 444458
(4S)-4-Aminopentanoic acid
CID 5312968
4-Amino-5-fluoropentanoic acid
CID 130363
CID 5289553
CID 5289553
(S)-4-ammoniopentanoate
CID 44279121
(2R,4S)-2,4-diaminopentanoic acid
CID 440169
4-Aminohexanoic acid
CID 138490
4-(Hydroxyamino)Pentanoic Acid
CID 53324545
4-Aminovaleric acid hydrochloride
CID 12338835
(4S)-4-amino-5-fluoropentanoic acid hydrochloride
CID 12593795
4-Aminohexanoic acid hydrochloride
CID 71299955

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-iodopentanoic acid?
The IUPAC name of 4-amino-2-iodopentanoic acid (CID 163563587) is 4-amino-2-iodopentanoic acid.
What is the SMILES notation for 4-amino-2-iodopentanoic acid?
The canonical SMILES for 4-amino-2-iodopentanoic acid is CC(N)CC(I)C(=O)O.
What is the InChIKey of 4-amino-2-iodopentanoic acid?
The InChIKey is FTIIFBSFBRZQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10INO2/c1-3(7)2-4(6)5(8)9/h3-4H,2,7H2,1H3,(H,8,9).
What are the key properties of 4-amino-2-iodopentanoic acid?
4-amino-2-iodopentanoic acid has a molecular weight of 243.04 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-iodopentanoic acid is sourced from PubChem (CID 163563587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).