4-[(2R)-2-aminopropyl]-3-iodobenzoic acid

C10H12INO2 — CID 130607749

IUPAC4-[(2R)-2-aminopropyl]-3-iodobenzoic acid
SMILESC[C@@H](N)Cc1ccc(C(=O)O)cc1I
InChIInChI=1S/C10H12INO2/c1-6(12)4-7-2-3-8(10(13)14)5-9(7)11/h2-3,5-6H,4,12H2,1H3,(H,13,14)/t6-/m1/s1
InChIKeyDCGQSTWJOGGRPP-ZCFIWIBFSA-N
MW305.12 g/mol
LogP1.88
Rot. Bonds3

About 4-[(2R)-2-aminopropyl]-3-iodobenzoic acid

4-[(2R)-2-aminopropyl]-3-iodobenzoic acid (PubChem CID 130607749) has the molecular formula C10H12INO2 and a molecular weight of 305.12 g/mol. Its IUPAC name is 4-[(2R)-2-aminopropyl]-3-iodobenzoic acid.

Molecular Properties

Compound Name4-[(2R)-2-aminopropyl]-3-iodobenzoic acid
PubChem CID130607749
Molecular FormulaC10H12INO2
Molecular Weight305.12 g/mol
Exact Mass304.99
IUPAC Name4-[(2R)-2-aminopropyl]-3-iodobenzoic acid
SMILESC[C@@H](N)Cc1ccc(C(=O)O)cc1I
InChIInChI=1S/C10H12INO2/c1-6(12)4-7-2-3-8(10(13)14)5-9(7)11/h2-3,5-6H,4,12H2,1H3,(H,13,14)/t6-/m1/s1
InChIKeyDCGQSTWJOGGRPP-ZCFIWIBFSA-N
XLogP1.88
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 51.88
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

4-[(2R)-2-aminopropyl]-3-methylbenzoic acid
CID 91048329
4-[(2R)-2-aminopropyl]-3-fluorobenzoic acid
CID 90925174
3-(2-aminopropyl)-1H-indole-6-carboxylic acid
CID 23071145
1-(4-chloro-2-iodophenyl)propan-2-amine
CID 130001695
3-[(1R)-1-aminoethyl]-4-ethylbenzoic acid
CID 55295793
2-[(2R)-2-aminopropyl]benzoic acid
CID 20581914
benzene-1,3,5-tricarboxylic acid;propane-1,2-diamine
CID 174924013
4-(2-aminopropyl)-3-ethylphenol
CID 130001636
4-[(2R)-2,3-dimethylbutyl]-3-methylbenzoic acid
CID 163975260
3-[3-(2-aminopropyl)-2,5-dimethylpyrrol-1-yl]benzoic acid
CID 170891353
3-amino-4-(iodomethyl)benzoic acid
CID 91883414
3-ethyl-4-(iodomethyl)benzoic acid
CID 91883748

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-aminopropyl]-3-iodobenzoic acid?
The IUPAC name of 4-[(2R)-2-aminopropyl]-3-iodobenzoic acid (CID 130607749) is 4-[(2R)-2-aminopropyl]-3-iodobenzoic acid.
What is the SMILES notation for 4-[(2R)-2-aminopropyl]-3-iodobenzoic acid?
The canonical SMILES for 4-[(2R)-2-aminopropyl]-3-iodobenzoic acid is C[C@@H](N)Cc1ccc(C(=O)O)cc1I.
What is the InChIKey of 4-[(2R)-2-aminopropyl]-3-iodobenzoic acid?
The InChIKey is DCGQSTWJOGGRPP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H12INO2/c1-6(12)4-7-2-3-8(10(13)14)5-9(7)11/h2-3,5-6H,4,12H2,1H3,(H,13,14)/t6-/m1/s1.
What are the key properties of 4-[(2R)-2-aminopropyl]-3-iodobenzoic acid?
4-[(2R)-2-aminopropyl]-3-iodobenzoic acid has a molecular weight of 305.12 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-aminopropyl]-3-iodobenzoic acid is sourced from PubChem (CID 130607749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).