2-cyclopropyl-2-[(2-iodo-3-methylbenzoyl)amino]propanoic acid

C14H16INO3 — CID 113352876

IUPAC2-cyclopropyl-2-[(2-iodo-3-methylbenzoyl)amino]propanoic acid
SMILESCc1cccc(C(=O)NC(C)(C(=O)O)C2CC2)c1I
InChIInChI=1S/C14H16INO3/c1-8-4-3-5-10(11(8)15)12(17)16-14(2,13(18)19)9-6-7-9/h3-5,9H,6-7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyBVJHEGXTCLLVKT-UHFFFAOYSA-N
MW373.19 g/mol
LogP2.58
Rot. Bonds4

About 2-cyclopropyl-2-[(2-iodo-3-methylbenzoyl)amino]propanoic acid

2-cyclopropyl-2-[(2-iodo-3-methylbenzoyl)amino]propanoic acid (PubChem CID 113352876) has the molecular formula C14H16INO3 and a molecular weight of 373.19 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(2-iodo-3-methylbenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(2-iodo-3-methylbenzoyl)amino]propanoic acid
PubChem CID113352876
Molecular FormulaC14H16INO3
Molecular Weight373.19 g/mol
Exact Mass373.02
IUPAC Name2-cyclopropyl-2-[(2-iodo-3-methylbenzoyl)amino]propanoic acid
SMILESCc1cccc(C(=O)NC(C)(C(=O)O)C2CC2)c1I
InChIInChI=1S/C14H16INO3/c1-8-4-3-5-10(11(8)15)12(17)16-14(2,13(18)19)9-6-7-9/h3-5,9H,6-7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyBVJHEGXTCLLVKT-UHFFFAOYSA-N
XLogP2.58
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.19
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-cyclopropyl-2-[(2-iodo-3-methylbenzoyl)amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-2-(naphthalene-1-carbonylamino)propanoic acid
CID 43341305
N-(4-hydroxy-2-methylbutan-2-yl)-2-iodo-3-methylbenzamide
CID 103944788
2-cyclopropyl-2-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid
CID 104547660
N-(2-cyclopropylethyl)-2-iodo-3-methylbenzamide
CID 103708603
2-[(4-amino-3-methylbenzoyl)amino]-2-cyclopropylpropanoic acid
CID 61160610
2-iodo-3-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119387158
(2R)-2-cyclopropyl-2-[(4-fluoro-3-methylbenzoyl)amino]propanoic acid
CID 95031796
2-[(3-chloropyridine-4-carbonyl)amino]-2-cyclopropylpropanoic acid
CID 66464958
2-cyclopropyl-2-[[1-(2-methylphenyl)pyrazole-4-carbonyl]amino]propanoic acid
CID 138999558
4-[(2-iodo-3-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 103790909
N-(2-hydroxycyclohexyl)-2-iodo-3-methylbenzamide
CID 113339330
2-cyclopropyl-2-[(2-iodo-3-methylbenzoyl)amino]acetic acid
CID 113263253

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(2-iodo-3-methylbenzoyl)amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(2-iodo-3-methylbenzoyl)amino]propanoic acid (CID 113352876) is 2-cyclopropyl-2-[(2-iodo-3-methylbenzoyl)amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(2-iodo-3-methylbenzoyl)amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(2-iodo-3-methylbenzoyl)amino]propanoic acid is Cc1cccc(C(=O)NC(C)(C(=O)O)C2CC2)c1I.
What is the InChIKey of 2-cyclopropyl-2-[(2-iodo-3-methylbenzoyl)amino]propanoic acid?
The InChIKey is BVJHEGXTCLLVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16INO3/c1-8-4-3-5-10(11(8)15)12(17)16-14(2,13(18)19)9-6-7-9/h3-5,9H,6-7H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-cyclopropyl-2-[(2-iodo-3-methylbenzoyl)amino]propanoic acid?
2-cyclopropyl-2-[(2-iodo-3-methylbenzoyl)amino]propanoic acid has a molecular weight of 373.19 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(2-iodo-3-methylbenzoyl)amino]propanoic acid is sourced from PubChem (CID 113352876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).