2-amino-8-iodooctanoic acid

C8H16INO2 — CID 86114195

IUPAC2-amino-8-iodooctanoic acid
SMILESNC(CCCCCCI)C(=O)O
InChIInChI=1S/C8H16INO2/c9-6-4-2-1-3-5-7(10)8(11)12/h7H,1-6,10H2,(H,11,12)
InChIKeyMTCJOSSOSLSVNC-UHFFFAOYSA-N
MW285.13 g/mol
LogP1.78
Rot. Bonds7

About 2-amino-8-iodooctanoic acid

2-amino-8-iodooctanoic acid (PubChem CID 86114195) has the molecular formula C8H16INO2 and a molecular weight of 285.13 g/mol. Its IUPAC name is 2-amino-8-iodooctanoic acid.

Molecular Properties

Compound Name2-amino-8-iodooctanoic acid
PubChem CID86114195
Molecular FormulaC8H16INO2
Molecular Weight285.13 g/mol
Exact Mass285.02
IUPAC Name2-amino-8-iodooctanoic acid
SMILESNC(CCCCCCI)C(=O)O
InChIInChI=1S/C8H16INO2/c9-6-4-2-1-3-5-7(10)8(11)12/h7H,1-6,10H2,(H,11,12)
InChIKeyMTCJOSSOSLSVNC-UHFFFAOYSA-N
XLogP1.78
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
2,10,10-triaminodecanoic acid
CID 141091504
2,6-diaminoheptanedioic acid
CID 865
2,13-diaminotridecanoic acid
CID 141414897
(2S)-2,6-diaminohexanoic acid;pentane-1,5-diamine
CID 87328180
2-aminotetracosanoic acid
CID 88730229
(2S)-2-aminopentacosanoic acid
CID 158815459
2-amino-7-sulfanylheptanoic acid
CID 56957911
(2S)-2-aminododecanoic acid
CID 10560640
2-amino-21-methyldocosanoic acid
CID 10926747
(2R)-2-amino-6-hydroxyhexanoic acid
CID 5288041

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-iodooctanoic acid?
The IUPAC name of 2-amino-8-iodooctanoic acid (CID 86114195) is 2-amino-8-iodooctanoic acid.
What is the SMILES notation for 2-amino-8-iodooctanoic acid?
The canonical SMILES for 2-amino-8-iodooctanoic acid is NC(CCCCCCI)C(=O)O.
What is the InChIKey of 2-amino-8-iodooctanoic acid?
The InChIKey is MTCJOSSOSLSVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16INO2/c9-6-4-2-1-3-5-7(10)8(11)12/h7H,1-6,10H2,(H,11,12).
What are the key properties of 2-amino-8-iodooctanoic acid?
2-amino-8-iodooctanoic acid has a molecular weight of 285.13 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-iodooctanoic acid is sourced from PubChem (CID 86114195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).