2-hydroxy-3-[(3-iodo-2-pyridinyl)amino]-2-methylpropanoic acid

C9H11IN2O3 — CID 122060951

IUPAC2-hydroxy-3-[(3-iodo-2-pyridinyl)amino]-2-methylpropanoic acid
SMILESCC(O)(CNc1ncccc1I)C(=O)O
InChIInChI=1S/C9H11IN2O3/c1-9(15,8(13)14)5-12-7-6(10)3-2-4-11-7/h2-4,15H,5H2,1H3,(H,11,12)(H,13,14)
InChIKeyKUZKDOOWTZDBOK-UHFFFAOYSA-N
MW322.10 g/mol
LogP0.93
Rot. Bonds4

About 2-hydroxy-3-[(3-iodo-2-pyridinyl)amino]-2-methylpropanoic acid

2-hydroxy-3-[(3-iodo-2-pyridinyl)amino]-2-methylpropanoic acid (PubChem CID 122060951) has the molecular formula C9H11IN2O3 and a molecular weight of 322.10 g/mol. Its IUPAC name is 2-hydroxy-3-[(3-iodo-2-pyridinyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(3-iodo-2-pyridinyl)amino]-2-methylpropanoic acid
PubChem CID122060951
Molecular FormulaC9H11IN2O3
Molecular Weight322.10 g/mol
Exact Mass321.98
IUPAC Name2-hydroxy-3-[(3-iodo-2-pyridinyl)amino]-2-methylpropanoic acid
SMILESCC(O)(CNc1ncccc1I)C(=O)O
InChIInChI=1S/C9H11IN2O3/c1-9(15,8(13)14)5-12-7-6(10)3-2-4-11-7/h2-4,15H,5H2,1H3,(H,11,12)(H,13,14)
InChIKeyKUZKDOOWTZDBOK-UHFFFAOYSA-N
XLogP0.93
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.10
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3-[[3-iodo-6-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpropanoic acid
CID 122060768
1-[(3-iodo-2-pyridinyl)amino]propan-2-ol
CID 130724684
2-hydroxy-2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]propanoic acid
CID 104644480
N-tert-butyl-3-iodopyridin-2-amine
CID 163216156
2-hydroxy-2-methyl-3-[(2-methyl-3-pyridinyl)carbamoylamino]propanoic acid
CID 79044257
1-(4-tert-butylphenyl)-3-[2-[(3-iodo-2-pyridinyl)amino]ethyl]urea
CID 71028605
2-methyl-1-[(3-methyl-2-pyridinyl)amino]propan-2-ol
CID 65109200
3-[(5-chloroquinolin-8-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 116783958
(2R)-2-hydroxy-N-(3-iodo-2-pyridinyl)propanamide
CID 130621810
3-(2-tert-butylanilino)-2-hydroxy-2-methylpropanoic acid
CID 104644544
2-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid
CID 61266117
3-[(3-bromo-2-pyridinyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82820933

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(3-iodo-2-pyridinyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-hydroxy-3-[(3-iodo-2-pyridinyl)amino]-2-methylpropanoic acid (CID 122060951) is 2-hydroxy-3-[(3-iodo-2-pyridinyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-hydroxy-3-[(3-iodo-2-pyridinyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-hydroxy-3-[(3-iodo-2-pyridinyl)amino]-2-methylpropanoic acid is CC(O)(CNc1ncccc1I)C(=O)O.
What is the InChIKey of 2-hydroxy-3-[(3-iodo-2-pyridinyl)amino]-2-methylpropanoic acid?
The InChIKey is KUZKDOOWTZDBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN2O3/c1-9(15,8(13)14)5-12-7-6(10)3-2-4-11-7/h2-4,15H,5H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-hydroxy-3-[(3-iodo-2-pyridinyl)amino]-2-methylpropanoic acid?
2-hydroxy-3-[(3-iodo-2-pyridinyl)amino]-2-methylpropanoic acid has a molecular weight of 322.10 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(3-iodo-2-pyridinyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 122060951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).