1-cyclopropyl-5-(ethylamino)piperidine-3-carboxylic acid

C11H20N2O2 — CID 83990502

IUPAC1-cyclopropyl-5-(ethylamino)piperidine-3-carboxylic acid
SMILESCCNC1CC(C(=O)O)CN(C2CC2)C1
InChIInChI=1S/C11H20N2O2/c1-2-12-9-5-8(11(14)15)6-13(7-9)10-3-4-10/h8-10,12H,2-7H2,1H3,(H,14,15)
InChIKeyYSHGTIHQGLHJDR-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.53
Rot. Bonds4

About 1-cyclopropyl-5-(ethylamino)piperidine-3-carboxylic acid

1-cyclopropyl-5-(ethylamino)piperidine-3-carboxylic acid (PubChem CID 83990502) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-cyclopropyl-5-(ethylamino)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-5-(ethylamino)piperidine-3-carboxylic acid
PubChem CID83990502
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-cyclopropyl-5-(ethylamino)piperidine-3-carboxylic acid
SMILESCCNC1CC(C(=O)O)CN(C2CC2)C1
InChIInChI=1S/C11H20N2O2/c1-2-12-9-5-8(11(14)15)6-13(7-9)10-3-4-10/h8-10,12H,2-7H2,1H3,(H,14,15)
InChIKeyYSHGTIHQGLHJDR-UHFFFAOYSA-N
XLogP0.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,5S)-5-acetamidopiperidine-3-carboxylic acid
CID 44270778
Methyl 5-(dimethylamino)piperidine-3-carboxylate
CID 83828932
(3Rs,5sr)-5-aminonipecotic acid
CID 12752561
3(s)-Aminopiperidine-5(r)-carboxylic acid
CID 129822283
1-[1-(Butylamino)-1-oxopropan-2-yl]piperidine-3-carboxylic acid
CID 43440657
1-(2-Aminoethyl)piperidine-3-carboxylic acid
CID 63653203
3-(N-methylpiperazinyl)propionic acid
CID 82653436
1-(2-Aminopropanoyl)piperidine-3-carboxylic acid
CID 61157721
1-Methyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
CID 83992063
1-Ethyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
CID 83992102
1-Propyl-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
CID 83992134
1-(2-Methylpropyl)-5-(2,2,2-trifluoroethylamino)piperidine-3-carboxylic acid
CID 83992158

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-(ethylamino)piperidine-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-5-(ethylamino)piperidine-3-carboxylic acid (CID 83990502) is 1-cyclopropyl-5-(ethylamino)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-5-(ethylamino)piperidine-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-5-(ethylamino)piperidine-3-carboxylic acid is CCNC1CC(C(=O)O)CN(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-5-(ethylamino)piperidine-3-carboxylic acid?
The InChIKey is YSHGTIHQGLHJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-2-12-9-5-8(11(14)15)6-13(7-9)10-3-4-10/h8-10,12H,2-7H2,1H3,(H,14,15).
What are the key properties of 1-cyclopropyl-5-(ethylamino)piperidine-3-carboxylic acid?
1-cyclopropyl-5-(ethylamino)piperidine-3-carboxylic acid has a molecular weight of 212.29 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-(ethylamino)piperidine-3-carboxylic acid is sourced from PubChem (CID 83990502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).