amino 4-pyrrolidin-1-ylbenzoate

C11H14N2O2 — CID 23055620

IUPACamino 4-pyrrolidin-1-ylbenzoate
SMILESNOC(=O)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C11H14N2O2/c12-15-11(14)9-3-5-10(6-4-9)13-7-1-2-8-13/h3-6H,1-2,7-8,12H2
InChIKeyLNYAJAXHRLKASY-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.32
Rot. Bonds2

About amino 4-pyrrolidin-1-ylbenzoate

amino 4-pyrrolidin-1-ylbenzoate (PubChem CID 23055620) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is amino 4-pyrrolidin-1-ylbenzoate.

Molecular Properties

Compound Nameamino 4-pyrrolidin-1-ylbenzoate
PubChem CID23055620
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Nameamino 4-pyrrolidin-1-ylbenzoate
SMILESNOC(=O)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C11H14N2O2/c12-15-11(14)9-3-5-10(6-4-9)13-7-1-2-8-13/h3-6H,1-2,7-8,12H2
InChIKeyLNYAJAXHRLKASY-UHFFFAOYSA-N
XLogP1.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[4,8,11-tris(4-ethoxycarbonylphenyl)-1,4,8,11-tetrazacyclotetradec-1-yl]benzoate
CID 134540950
2-(4-piperidin-1-ylbenzoyl)oxyethanesulfonic acid
CID 129061932
4-pyrrolidin-1-ylbenzohydrazide;hydrochloride
CID 163230065
(4-piperidin-1-ylphenyl)-pyrrolidin-1-ylmethanone
CID 21366931
ethyl 2-oxo-2-(4-pyrrolidin-1-ylphenyl)acetate
CID 58229031
2-bromo-1-(4-pyrrolidin-1-ylphenyl)ethanone
CID 3681785
ethane;2-oxo-2-(4-pyrrolidin-1-ylphenyl)acetic acid
CID 144811360
butyl 4-[[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazenyl]benzoate
CID 129101711
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
N-cyclopropyl-4-piperidin-1-ylbenzamide
CID 21368345
pentyl 4-[[4-[(4-pyrrolidin-1-ylphenyl)diazenyl]phenyl]diazenyl]benzoate
CID 168747292
butyl 4-(4-piperidin-1-ylphenyl)sulfonylbenzoate
CID 21178229

Frequently Asked Questions

What is the IUPAC name of amino 4-pyrrolidin-1-ylbenzoate?
The IUPAC name of amino 4-pyrrolidin-1-ylbenzoate (CID 23055620) is amino 4-pyrrolidin-1-ylbenzoate.
What is the SMILES notation for amino 4-pyrrolidin-1-ylbenzoate?
The canonical SMILES for amino 4-pyrrolidin-1-ylbenzoate is NOC(=O)c1ccc(N2CCCC2)cc1.
What is the InChIKey of amino 4-pyrrolidin-1-ylbenzoate?
The InChIKey is LNYAJAXHRLKASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c12-15-11(14)9-3-5-10(6-4-9)13-7-1-2-8-13/h3-6H,1-2,7-8,12H2.
What are the key properties of amino 4-pyrrolidin-1-ylbenzoate?
amino 4-pyrrolidin-1-ylbenzoate has a molecular weight of 206.25 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino 4-pyrrolidin-1-ylbenzoate is sourced from PubChem (CID 23055620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).