(2R)-2-[[2-(3-iodoanilino)-2-oxoethyl]amino]propanoic acid

C11H13IN2O3 — CID 83194447

IUPAC(2R)-2-[[2-(3-iodoanilino)-2-oxoethyl]amino]propanoic acid
SMILESC[C@@H](NCC(=O)Nc1cccc(I)c1)C(=O)O
InChIInChI=1S/C11H13IN2O3/c1-7(11(16)17)13-6-10(15)14-9-4-2-3-8(12)5-9/h2-5,7,13H,6H2,1H3,(H,14,15)(H,16,17)/t7-/m1/s1
InChIKeyBXIUOJNYYKSAGM-SSDOTTSWSA-N
MW348.14 g/mol
LogP1.29
Rot. Bonds5

About (2R)-2-[[2-(3-iodoanilino)-2-oxoethyl]amino]propanoic acid

(2R)-2-[[2-(3-iodoanilino)-2-oxoethyl]amino]propanoic acid (PubChem CID 83194447) has the molecular formula C11H13IN2O3 and a molecular weight of 348.14 g/mol. Its IUPAC name is (2R)-2-[[2-(3-iodoanilino)-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(3-iodoanilino)-2-oxoethyl]amino]propanoic acid
PubChem CID83194447
Molecular FormulaC11H13IN2O3
Molecular Weight348.14 g/mol
Exact Mass348.00
IUPAC Name(2R)-2-[[2-(3-iodoanilino)-2-oxoethyl]amino]propanoic acid
SMILESC[C@@H](NCC(=O)Nc1cccc(I)c1)C(=O)O
InChIInChI=1S/C11H13IN2O3/c1-7(11(16)17)13-6-10(15)14-9-4-2-3-8(12)5-9/h2-5,7,13H,6H2,1H3,(H,14,15)(H,16,17)/t7-/m1/s1
InChIKeyBXIUOJNYYKSAGM-SSDOTTSWSA-N
XLogP1.29
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.14
LogP ≤ 51.29
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

2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 43467219
(2R)-2-[[2-(3-acetylanilino)-2-oxoethyl]amino]propanoic acid
CID 83194431
2-[[2-(3-iodoanilino)-2-oxoethyl]amino]-N-methylacetamide
CID 8771974
2-anilino-N-(3-iodophenyl)acetamide
CID 47107105
3-(3-iodoanilino)-3-oxopropanoic acid
CID 62230564
(2S)-2-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 83194812
3-(3-iodoanilino)-2-methyl-3-oxopropanoic acid
CID 114897091
2-(3-iodoanilino)-N-phenylacetamide
CID 28829964
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propanoic acid
CID 43467206
N-(3-iodophenyl)-3-methylpentanamide
CID 114874887
N-methyl-2-[[2-(3-methylanilino)-2-oxoethyl]amino]propanamide
CID 54950375
2-ethyl-2-[[2-(3-iodoanilino)-2-oxoethyl]amino]butanoic acid
CID 79803778

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(3-iodoanilino)-2-oxoethyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[2-(3-iodoanilino)-2-oxoethyl]amino]propanoic acid (CID 83194447) is (2R)-2-[[2-(3-iodoanilino)-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[2-(3-iodoanilino)-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[2-(3-iodoanilino)-2-oxoethyl]amino]propanoic acid is C[C@@H](NCC(=O)Nc1cccc(I)c1)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(3-iodoanilino)-2-oxoethyl]amino]propanoic acid?
The InChIKey is BXIUOJNYYKSAGM-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13IN2O3/c1-7(11(16)17)13-6-10(15)14-9-4-2-3-8(12)5-9/h2-5,7,13H,6H2,1H3,(H,14,15)(H,16,17)/t7-/m1/s1.
What are the key properties of (2R)-2-[[2-(3-iodoanilino)-2-oxoethyl]amino]propanoic acid?
(2R)-2-[[2-(3-iodoanilino)-2-oxoethyl]amino]propanoic acid has a molecular weight of 348.14 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(3-iodoanilino)-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 83194447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).