2-hydroxy-3-[(4-iodobenzoyl)amino]propanoic acid

C10H10INO4 — CID 66167865

IUPAC2-hydroxy-3-[(4-iodobenzoyl)amino]propanoic acid
SMILESO=C(NCC(O)C(=O)O)c1ccc(I)cc1
InChIInChI=1S/C10H10INO4/c11-7-3-1-6(2-4-7)9(14)12-5-8(13)10(15)16/h1-4,8,13H,5H2,(H,12,14)(H,15,16)
InChIKeyPBKMYCFSQPRWNJ-UHFFFAOYSA-N
MW335.10 g/mol
LogP0.47
Rot. Bonds4

About 2-hydroxy-3-[(4-iodobenzoyl)amino]propanoic acid

2-hydroxy-3-[(4-iodobenzoyl)amino]propanoic acid (PubChem CID 66167865) has the molecular formula C10H10INO4 and a molecular weight of 335.10 g/mol. Its IUPAC name is 2-hydroxy-3-[(4-iodobenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(4-iodobenzoyl)amino]propanoic acid
PubChem CID66167865
Molecular FormulaC10H10INO4
Molecular Weight335.10 g/mol
Exact Mass334.97
IUPAC Name2-hydroxy-3-[(4-iodobenzoyl)amino]propanoic acid
SMILESO=C(NCC(O)C(=O)O)c1ccc(I)cc1
InChIInChI=1S/C10H10INO4/c11-7-3-1-6(2-4-7)9(14)12-5-8(13)10(15)16/h1-4,8,13H,5H2,(H,12,14)(H,15,16)
InChIKeyPBKMYCFSQPRWNJ-UHFFFAOYSA-N
XLogP0.47
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.10
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-[[4-(aminomethyl)benzoyl]amino]-2-hydroxypropanoic acid
CID 114006820
2-[[(4-iodobenzoyl)amino]methyl]-3-methylbutanoic acid
CID 65220470
(2S)-3-[[4-(dimethylamino)benzoyl]amino]-2-hydroxypropanoic acid
CID 107833075
3-[(4-iodobenzoyl)amino]-2-phenylpropanoic acid
CID 62883684
(2S)-3-[[4-[(carbamoylamino)methyl]benzoyl]amino]-2-hydroxypropanoic acid
CID 107833643
N-(2,2-dimethoxyethyl)-4-iodobenzamide
CID 10903782
N-(2-hydroxy-4,4-dimethylpentyl)-4-iodobenzamide
CID 103676431
3-[(3,5-dihydroxybenzoyl)amino]-2-hydroxypropanoic acid
CID 107702673
(2S)-3-[(4-amino-3-methylbenzoyl)amino]-2-hydroxypropanoic acid
CID 114006812
3-[(3,5-dimethylbenzoyl)amino]-2-hydroxypropanoic acid
CID 66165173
(2S)-3-(2,3-dihydro-1H-indene-5-carbonylamino)-2-hydroxypropanoic acid
CID 107833491
(2S)-3-[(3-fluoro-4-methylbenzoyl)amino]-2-hydroxypropanoic acid
CID 107833177

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(4-iodobenzoyl)amino]propanoic acid?
The IUPAC name of 2-hydroxy-3-[(4-iodobenzoyl)amino]propanoic acid (CID 66167865) is 2-hydroxy-3-[(4-iodobenzoyl)amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-3-[(4-iodobenzoyl)amino]propanoic acid?
The canonical SMILES for 2-hydroxy-3-[(4-iodobenzoyl)amino]propanoic acid is O=C(NCC(O)C(=O)O)c1ccc(I)cc1.
What is the InChIKey of 2-hydroxy-3-[(4-iodobenzoyl)amino]propanoic acid?
The InChIKey is PBKMYCFSQPRWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10INO4/c11-7-3-1-6(2-4-7)9(14)12-5-8(13)10(15)16/h1-4,8,13H,5H2,(H,12,14)(H,15,16).
What are the key properties of 2-hydroxy-3-[(4-iodobenzoyl)amino]propanoic acid?
2-hydroxy-3-[(4-iodobenzoyl)amino]propanoic acid has a molecular weight of 335.10 g/mol, XLogP of 0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(4-iodobenzoyl)amino]propanoic acid is sourced from PubChem (CID 66167865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).