(cyclopentylamino) benzoate

C12H15NO2 — CID 12724387

IUPAC(cyclopentylamino) benzoate
SMILESO=C(ONC1CCCC1)c1ccccc1
InChIInChI=1S/C12H15NO2/c14-12(10-6-2-1-3-7-10)15-13-11-8-4-5-9-11/h1-3,6-7,11,13H,4-5,8-9H2
InChIKeyQDQNNUFOCVCIHJ-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.29
Rot. Bonds3

About (cyclopentylamino) benzoate

(cyclopentylamino) benzoate (PubChem CID 12724387) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (cyclopentylamino) benzoate.

Molecular Properties

Compound Name(cyclopentylamino) benzoate
PubChem CID12724387
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(cyclopentylamino) benzoate
SMILESO=C(ONC1CCCC1)c1ccccc1
InChIInChI=1S/C12H15NO2/c14-12(10-6-2-1-3-7-10)15-13-11-8-4-5-9-11/h1-3,6-7,11,13H,4-5,8-9H2
InChIKeyQDQNNUFOCVCIHJ-UHFFFAOYSA-N
XLogP2.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethanol, 2-amino-, benzoate (1:1)
CID 20343
Benzoic acid, compd. with cyclohexanamine (1:1)
CID 197016
3-(2-Aminoethyl)benzoic acid
CID 506077
O-(4-chlorobenzoyl)-N-isopropylhydroxylamine
CID 3442504
1-Amino-5-benzoyloxypentane
CID 12416416
(Carbamoylamino) benzoate
CID 250602
4-(Azaniumylmethyl)benzoate
CID 42552846
Platinum(2+) benzene-1,3-dicarboxylate--cyclopentane-1,2-diamine (1/1/1)
CID 3065513
1,3,5-Benzenetricarboxylic acid, platinum complex
CID 3065636
N-Acetyl-O-benzoylhydroxylamine
CID 149551
Cyclohexanaminium benzoate
CID 53431163
Piperidinium benzoate
CID 57350538

Frequently Asked Questions

What is the IUPAC name of (cyclopentylamino) benzoate?
The IUPAC name of (cyclopentylamino) benzoate (CID 12724387) is (cyclopentylamino) benzoate.
What is the SMILES notation for (cyclopentylamino) benzoate?
The canonical SMILES for (cyclopentylamino) benzoate is O=C(ONC1CCCC1)c1ccccc1.
What is the InChIKey of (cyclopentylamino) benzoate?
The InChIKey is QDQNNUFOCVCIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c14-12(10-6-2-1-3-7-10)15-13-11-8-4-5-9-11/h1-3,6-7,11,13H,4-5,8-9H2.
What are the key properties of (cyclopentylamino) benzoate?
(cyclopentylamino) benzoate has a molecular weight of 205.26 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (cyclopentylamino) benzoate is sourced from PubChem (CID 12724387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).