(2R)-1-[1-(4-aminophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid

C16H20N2O3 — CID 103930599

IUPAC(2R)-1-[1-(4-aminophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
SMILESNc1ccc(C2(C(=O)N3CCCC[C@@H]3C(=O)O)CC2)cc1
InChIInChI=1S/C16H20N2O3/c17-12-6-4-11(5-7-12)16(8-9-16)15(21)18-10-2-1-3-13(18)14(19)20/h4-7,13H,1-3,8-10,17H2,(H,19,20)/t13-/m1/s1
InChIKeyHJKIBCGUGFMGSQ-CYBMUJFWSA-N
MW288.35 g/mol
LogP1.77
Rot. Bonds3

About (2R)-1-[1-(4-aminophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid

(2R)-1-[1-(4-aminophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid (PubChem CID 103930599) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is (2R)-1-[1-(4-aminophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[1-(4-aminophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
PubChem CID103930599
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name(2R)-1-[1-(4-aminophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
SMILESNc1ccc(C2(C(=O)N3CCCC[C@@H]3C(=O)O)CC2)cc1
InChIInChI=1S/C16H20N2O3/c17-12-6-4-11(5-7-12)16(8-9-16)15(21)18-10-2-1-3-13(18)14(19)20/h4-7,13H,1-3,8-10,17H2,(H,19,20)/t13-/m1/s1
InChIKeyHJKIBCGUGFMGSQ-CYBMUJFWSA-N
XLogP1.77
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[1-(4-fluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 66264111
1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid
CID 43239493
(2R)-1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 78922091
4-[1-(4-aminophenyl)cyclopropanecarbonyl]thiomorpholine-3-carboxylic acid
CID 115913897
[1-(4-aminophenyl)cyclopropyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 115913231
1-[2-(4-aminophenyl)-2-methylpropanoyl]piperidine-2-carboxylic acid
CID 80554988
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 4892293
1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-2-carboxylic acid
CID 115439352
[2-(hydroxymethyl)piperidin-1-yl]-(1-phenylcyclobutyl)methanone
CID 43421113
[2-(methylaminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 63249167
(2-ethylpiperidin-1-yl)-(1-phenylcyclobutyl)methanone
CID 110487740
methyl 1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylate
CID 43423447

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[1-(4-aminophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[1-(4-aminophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid (CID 103930599) is (2R)-1-[1-(4-aminophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[1-(4-aminophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[1-(4-aminophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid is Nc1ccc(C2(C(=O)N3CCCC[C@@H]3C(=O)O)CC2)cc1.
What is the InChIKey of (2R)-1-[1-(4-aminophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid?
The InChIKey is HJKIBCGUGFMGSQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N2O3/c17-12-6-4-11(5-7-12)16(8-9-16)15(21)18-10-2-1-3-13(18)14(19)20/h4-7,13H,1-3,8-10,17H2,(H,19,20)/t13-/m1/s1.
What are the key properties of (2R)-1-[1-(4-aminophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid?
(2R)-1-[1-(4-aminophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[1-(4-aminophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 103930599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).