2-cyclopropyl-2-[[2-(2-iodophenyl)acetyl]amino]acetic acid

C13H14INO3 — CID 120521179

IUPAC2-cyclopropyl-2-[[2-(2-iodophenyl)acetyl]amino]acetic acid
SMILESO=C(Cc1ccccc1I)NC(C(=O)O)C1CC1
InChIInChI=1S/C13H14INO3/c14-10-4-2-1-3-9(10)7-11(16)15-12(13(17)18)8-5-6-8/h1-4,8,12H,5-7H2,(H,15,16)(H,17,18)
InChIKeyPSNVIPMXSUVQTI-UHFFFAOYSA-N
MW359.16 g/mol
LogP1.81
Rot. Bonds5

About 2-cyclopropyl-2-[[2-(2-iodophenyl)acetyl]amino]acetic acid

2-cyclopropyl-2-[[2-(2-iodophenyl)acetyl]amino]acetic acid (PubChem CID 120521179) has the molecular formula C13H14INO3 and a molecular weight of 359.16 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[2-(2-iodophenyl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[2-(2-iodophenyl)acetyl]amino]acetic acid
PubChem CID120521179
Molecular FormulaC13H14INO3
Molecular Weight359.16 g/mol
Exact Mass359.00
IUPAC Name2-cyclopropyl-2-[[2-(2-iodophenyl)acetyl]amino]acetic acid
SMILESO=C(Cc1ccccc1I)NC(C(=O)O)C1CC1
InChIInChI=1S/C13H14INO3/c14-10-4-2-1-3-9(10)7-11(16)15-12(13(17)18)8-5-6-8/h1-4,8,12H,5-7H2,(H,15,16)(H,17,18)
InChIKeyPSNVIPMXSUVQTI-UHFFFAOYSA-N
XLogP1.81
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.16
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-2-[[2-[2-(difluoromethoxy)phenyl]acetyl]amino]acetic acid
CID 119214054
(2R)-2-[[2-(2-iodophenyl)acetyl]amino]propanoic acid
CID 120526942
2-[(2-anilinoacetyl)amino]-2-cyclopropylacetic acid
CID 62696020
2-[[2-(2-iodophenyl)acetyl]amino]-4-methylpentanoic acid
CID 120516070
2-cyclopropyl-2-[[2-(3,4-dichlorophenyl)acetyl]amino]acetic acid
CID 62697078
2-cyclopropyl-2-[[2-(2-phenoxyethoxy)acetyl]amino]acetic acid
CID 119213147
(2S)-2-benzamido-2-cyclopropylacetic acid
CID 94553117
2-cyclopropyl-2-[3-(2-ethoxyphenyl)propanoylamino]acetic acid
CID 62696875
2-cyclopropyl-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetic acid
CID 62697267
2-cyclopropyl-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]acetic acid
CID 119213473
2-cyclopropyl-2-[[2-(4-nitrophenyl)acetyl]amino]acetic acid
CID 62696087
2-cyclopropyl-2-[[2-(1,2-oxazol-3-yl)acetyl]amino]acetic acid
CID 115730815

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[2-(2-iodophenyl)acetyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[2-(2-iodophenyl)acetyl]amino]acetic acid (CID 120521179) is 2-cyclopropyl-2-[[2-(2-iodophenyl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[2-(2-iodophenyl)acetyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[2-(2-iodophenyl)acetyl]amino]acetic acid is O=C(Cc1ccccc1I)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[2-(2-iodophenyl)acetyl]amino]acetic acid?
The InChIKey is PSNVIPMXSUVQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14INO3/c14-10-4-2-1-3-9(10)7-11(16)15-12(13(17)18)8-5-6-8/h1-4,8,12H,5-7H2,(H,15,16)(H,17,18).
What are the key properties of 2-cyclopropyl-2-[[2-(2-iodophenyl)acetyl]amino]acetic acid?
2-cyclopropyl-2-[[2-(2-iodophenyl)acetyl]amino]acetic acid has a molecular weight of 359.16 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[2-(2-iodophenyl)acetyl]amino]acetic acid is sourced from PubChem (CID 120521179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).