5-amino-2-(iodoamino)pentanoic acid

C5H11IN2O2 — CID 146484863

IUPAC5-amino-2-(iodoamino)pentanoic acid
SMILESNCCCC(NI)C(=O)O
InChIInChI=1S/C5H11IN2O2/c6-8-4(5(9)10)2-1-3-7/h4,8H,1-3,7H2,(H,9,10)
InChIKeyGHFTXTVPAFSWSK-UHFFFAOYSA-N
MW258.06 g/mol
LogP0.12
Rot. Bonds5

About 5-amino-2-(iodoamino)pentanoic acid

5-amino-2-(iodoamino)pentanoic acid (PubChem CID 146484863) has the molecular formula C5H11IN2O2 and a molecular weight of 258.06 g/mol. Its IUPAC name is 5-amino-2-(iodoamino)pentanoic acid.

Molecular Properties

Compound Name5-amino-2-(iodoamino)pentanoic acid
PubChem CID146484863
Molecular FormulaC5H11IN2O2
Molecular Weight258.06 g/mol
Exact Mass257.99
IUPAC Name5-amino-2-(iodoamino)pentanoic acid
SMILESNCCCC(NI)C(=O)O
InChIInChI=1S/C5H11IN2O2/c6-8-4(5(9)10)2-1-3-7/h4,8H,1-3,7H2,(H,9,10)
InChIKeyGHFTXTVPAFSWSK-UHFFFAOYSA-N
XLogP0.12
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.06
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-5-amino-2-(carboxymethylamino)pentanoic acid
CID 22810355
5-amino-2-(methylamino)pentanoic acid;hydrochloride
CID 23216389
(2R)-5-amino-2-formamidopentanoic acid
CID 174416809
(2S)-5-amino-2-(propan-2-ylamino)pentanoic acid
CID 18639751
(2R)-5-amino-2-(ethylamino)pentanoic acid
CID 143752846
(2R)-6-amino-2-(hydroxyamino)hexanoic acid
CID 87193141
(2S)-5-amino-2-(ethenylamino)pentanoic acid
CID 172797723
(2S)-5-amino-2-(carbamothioylamino)pentanoic acid
CID 87236660
(2R)-2-[(4-amino-1-carboxybutyl)amino]pentanedioic acid
CID 102061405
5-amino-2-(6-aminohexylamino)pentanoic acid;trihydrochloride
CID 174056033
(2S)-5-amino-2-[2-(sulfanylidenemethylidene)hydrazinyl]pentanoic acid
CID 87967848
6-amino-2-(hydroxymethylamino)hexanoic acid
CID 18519143

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(iodoamino)pentanoic acid?
The IUPAC name of 5-amino-2-(iodoamino)pentanoic acid (CID 146484863) is 5-amino-2-(iodoamino)pentanoic acid.
What is the SMILES notation for 5-amino-2-(iodoamino)pentanoic acid?
The canonical SMILES for 5-amino-2-(iodoamino)pentanoic acid is NCCCC(NI)C(=O)O.
What is the InChIKey of 5-amino-2-(iodoamino)pentanoic acid?
The InChIKey is GHFTXTVPAFSWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11IN2O2/c6-8-4(5(9)10)2-1-3-7/h4,8H,1-3,7H2,(H,9,10).
What are the key properties of 5-amino-2-(iodoamino)pentanoic acid?
5-amino-2-(iodoamino)pentanoic acid has a molecular weight of 258.06 g/mol, XLogP of 0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(iodoamino)pentanoic acid is sourced from PubChem (CID 146484863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).