4-amino-4-(cyanomethyl)piperidine-1-carboxylic acid

C8H13N3O2 — CID 23082139

IUPAC4-amino-4-(cyanomethyl)piperidine-1-carboxylic acid
SMILESN#CCC1(N)CCN(C(=O)O)CC1
InChIInChI=1S/C8H13N3O2/c9-4-1-8(10)2-5-11(6-3-8)7(12)13/h1-3,5-6,10H2,(H,12,13)
InChIKeyJFRIAWNBRCBKBT-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.37
Rot. Bonds1

About 4-amino-4-(cyanomethyl)piperidine-1-carboxylic acid

4-amino-4-(cyanomethyl)piperidine-1-carboxylic acid (PubChem CID 23082139) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-amino-4-(cyanomethyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-amino-4-(cyanomethyl)piperidine-1-carboxylic acid
PubChem CID23082139
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name4-amino-4-(cyanomethyl)piperidine-1-carboxylic acid
SMILESN#CCC1(N)CCN(C(=O)O)CC1
InChIInChI=1S/C8H13N3O2/c9-4-1-8(10)2-5-11(6-3-8)7(12)13/h1-3,5-6,10H2,(H,12,13)
InChIKeyJFRIAWNBRCBKBT-UHFFFAOYSA-N
XLogP0.37
TPSA90.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(cyanomethyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-amino-4-(cyanomethyl)piperidine-1-carboxylic acid (CID 23082139) is 4-amino-4-(cyanomethyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-amino-4-(cyanomethyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-amino-4-(cyanomethyl)piperidine-1-carboxylic acid is N#CCC1(N)CCN(C(=O)O)CC1.
What is the InChIKey of 4-amino-4-(cyanomethyl)piperidine-1-carboxylic acid?
The InChIKey is JFRIAWNBRCBKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c9-4-1-8(10)2-5-11(6-3-8)7(12)13/h1-3,5-6,10H2,(H,12,13).
What are the key properties of 4-amino-4-(cyanomethyl)piperidine-1-carboxylic acid?
4-amino-4-(cyanomethyl)piperidine-1-carboxylic acid has a molecular weight of 183.21 g/mol, XLogP of 0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(cyanomethyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 23082139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).