1-(2-amino-2-oxoethyl)piperidine-3-carboxylic acid

C8H14N2O3 — CID 43385909

IUPAC1-(2-amino-2-oxoethyl)piperidine-3-carboxylic acid
SMILESNC(=O)CN1CCCC(C(=O)O)C1
InChIInChI=1S/C8H14N2O3/c9-7(11)5-10-3-1-2-6(4-10)8(12)13/h6H,1-5H2,(H2,9,11)(H,12,13)
InChIKeyPQYDPAMZRKIGBY-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.73
Rot. Bonds3

About 1-(2-amino-2-oxoethyl)piperidine-3-carboxylic acid

1-(2-amino-2-oxoethyl)piperidine-3-carboxylic acid (PubChem CID 43385909) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)piperidine-3-carboxylic acid
PubChem CID43385909
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name1-(2-amino-2-oxoethyl)piperidine-3-carboxylic acid
SMILESNC(=O)CN1CCCC(C(=O)O)C1
InChIInChI=1S/C8H14N2O3/c9-7(11)5-10-3-1-2-6(4-10)8(12)13/h6H,1-5H2,(H2,9,11)(H,12,13)
InChIKeyPQYDPAMZRKIGBY-UHFFFAOYSA-N
XLogP-0.73
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-amino-2-oxoethyl)piperidine-3-carboxylic acid (CID 43385909) is 1-(2-amino-2-oxoethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-amino-2-oxoethyl)piperidine-3-carboxylic acid is NC(=O)CN1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(2-amino-2-oxoethyl)piperidine-3-carboxylic acid?
The InChIKey is PQYDPAMZRKIGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c9-7(11)5-10-3-1-2-6(4-10)8(12)13/h6H,1-5H2,(H2,9,11)(H,12,13).
What are the key properties of 1-(2-amino-2-oxoethyl)piperidine-3-carboxylic acid?
1-(2-amino-2-oxoethyl)piperidine-3-carboxylic acid has a molecular weight of 186.21 g/mol, XLogP of -0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 43385909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).