2-amino-5-[(2S)-pyrrolidin-2-yl]benzoic acid

C11H14N2O2 — CID 66519029

IUPAC2-amino-5-[(2S)-pyrrolidin-2-yl]benzoic acid
SMILESNc1ccc([C@@H]2CCCN2)cc1C(=O)O
InChIInChI=1S/C11H14N2O2/c12-9-4-3-7(6-8(9)11(14)15)10-2-1-5-13-10/h3-4,6,10,13H,1-2,5,12H2,(H,14,15)/t10-/m0/s1
InChIKeyALPPGSFNZAOOIK-JTQLQIEISA-N
MW206.25 g/mol
LogP1.39
Rot. Bonds2

About 2-amino-5-[(2S)-pyrrolidin-2-yl]benzoic acid

2-amino-5-[(2S)-pyrrolidin-2-yl]benzoic acid (PubChem CID 66519029) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-amino-5-[(2S)-pyrrolidin-2-yl]benzoic acid.

Molecular Properties

Compound Name2-amino-5-[(2S)-pyrrolidin-2-yl]benzoic acid
PubChem CID66519029
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name2-amino-5-[(2S)-pyrrolidin-2-yl]benzoic acid
SMILESNc1ccc([C@@H]2CCCN2)cc1C(=O)O
InChIInChI=1S/C11H14N2O2/c12-9-4-3-7(6-8(9)11(14)15)10-2-1-5-13-10/h3-4,6,10,13H,1-2,5,12H2,(H,14,15)/t10-/m0/s1
InChIKeyALPPGSFNZAOOIK-JTQLQIEISA-N
XLogP1.39
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-pyrrolidin-2-ylbenzoic acid
CID 77131521
2-amino-4-[(2R)-pyrrolidin-2-yl]phenol
CID 66518284
3-fluoro-2-hydroxy-5-pyrrolidin-2-ylbenzoic acid
CID 117322920
2-nitro-4-[(2R)-pyrrolidin-2-yl]aniline
CID 66518857
2-(4-pyrrolidin-2-ylphenyl)benzoic acid
CID 110162717
2-chloro-4-[(2R)-piperidin-2-yl]aniline
CID 130690862
5-[(2R)-azetidin-2-yl]-2-hydroxybenzoic acid;hydrochloride
CID 171197416
5-[(2S)-azetidin-2-yl]-2-iodobenzoic acid
CID 130744353
5-[(2S)-azetidin-2-yl]-2-methylbenzoic acid
CID 131057016
5-pyrrolidin-2-ylpyridine-2-carboxylic acid
CID 55296830
4-[(2S)-pyrrolidin-2-yl]benzene-1,2-diol
CID 66518287
2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol
CID 66519672

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(2S)-pyrrolidin-2-yl]benzoic acid?
The IUPAC name of 2-amino-5-[(2S)-pyrrolidin-2-yl]benzoic acid (CID 66519029) is 2-amino-5-[(2S)-pyrrolidin-2-yl]benzoic acid.
What is the SMILES notation for 2-amino-5-[(2S)-pyrrolidin-2-yl]benzoic acid?
The canonical SMILES for 2-amino-5-[(2S)-pyrrolidin-2-yl]benzoic acid is Nc1ccc([C@@H]2CCCN2)cc1C(=O)O.
What is the InChIKey of 2-amino-5-[(2S)-pyrrolidin-2-yl]benzoic acid?
The InChIKey is ALPPGSFNZAOOIK-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14N2O2/c12-9-4-3-7(6-8(9)11(14)15)10-2-1-5-13-10/h3-4,6,10,13H,1-2,5,12H2,(H,14,15)/t10-/m0/s1.
What are the key properties of 2-amino-5-[(2S)-pyrrolidin-2-yl]benzoic acid?
2-amino-5-[(2S)-pyrrolidin-2-yl]benzoic acid has a molecular weight of 206.25 g/mol, XLogP of 1.39, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(2S)-pyrrolidin-2-yl]benzoic acid is sourced from PubChem (CID 66519029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).