3-amino-4-(hydroxymethyl)piperidine-1-carboxylic acid

C7H14N2O3 — CID 22646920

IUPAC3-amino-4-(hydroxymethyl)piperidine-1-carboxylic acid
SMILESNC1CN(C(=O)O)CCC1CO
InChIInChI=1S/C7H14N2O3/c8-6-3-9(7(11)12)2-1-5(6)4-10/h5-6,10H,1-4,8H2,(H,11,12)
InChIKeyBDYNNJRMNMPAFA-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.69
Rot. Bonds1

About 3-amino-4-(hydroxymethyl)piperidine-1-carboxylic acid

3-amino-4-(hydroxymethyl)piperidine-1-carboxylic acid (PubChem CID 22646920) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-amino-4-(hydroxymethyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-amino-4-(hydroxymethyl)piperidine-1-carboxylic acid
PubChem CID22646920
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name3-amino-4-(hydroxymethyl)piperidine-1-carboxylic acid
SMILESNC1CN(C(=O)O)CCC1CO
InChIInChI=1S/C7H14N2O3/c8-6-3-9(7(11)12)2-1-5(6)4-10/h5-6,10H,1-4,8H2,(H,11,12)
InChIKeyBDYNNJRMNMPAFA-UHFFFAOYSA-N
XLogP-0.69
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(hydroxymethyl)piperidine-1-carboxylic acid?
The IUPAC name of 3-amino-4-(hydroxymethyl)piperidine-1-carboxylic acid (CID 22646920) is 3-amino-4-(hydroxymethyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 3-amino-4-(hydroxymethyl)piperidine-1-carboxylic acid?
The canonical SMILES for 3-amino-4-(hydroxymethyl)piperidine-1-carboxylic acid is NC1CN(C(=O)O)CCC1CO.
What is the InChIKey of 3-amino-4-(hydroxymethyl)piperidine-1-carboxylic acid?
The InChIKey is BDYNNJRMNMPAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c8-6-3-9(7(11)12)2-1-5(6)4-10/h5-6,10H,1-4,8H2,(H,11,12).
What are the key properties of 3-amino-4-(hydroxymethyl)piperidine-1-carboxylic acid?
3-amino-4-(hydroxymethyl)piperidine-1-carboxylic acid has a molecular weight of 174.20 g/mol, XLogP of -0.69, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(hydroxymethyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 22646920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).