4-(aminomethyl)-3-hydroxypiperidine-1-carboxylic acid

C7H14N2O3 — CID 22135572

IUPAC4-(aminomethyl)-3-hydroxypiperidine-1-carboxylic acid
SMILESNCC1CCN(C(=O)O)CC1O
InChIInChI=1S/C7H14N2O3/c8-3-5-1-2-9(7(11)12)4-6(5)10/h5-6,10H,1-4,8H2,(H,11,12)
InChIKeyBTAORBPVVVYJJH-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.69
Rot. Bonds1

About 4-(aminomethyl)-3-hydroxypiperidine-1-carboxylic acid

4-(aminomethyl)-3-hydroxypiperidine-1-carboxylic acid (PubChem CID 22135572) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is 4-(aminomethyl)-3-hydroxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(aminomethyl)-3-hydroxypiperidine-1-carboxylic acid
PubChem CID22135572
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name4-(aminomethyl)-3-hydroxypiperidine-1-carboxylic acid
SMILESNCC1CCN(C(=O)O)CC1O
InChIInChI=1S/C7H14N2O3/c8-3-5-1-2-9(7(11)12)4-6(5)10/h5-6,10H,1-4,8H2,(H,11,12)
InChIKeyBTAORBPVVVYJJH-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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Related Compounds

tert-Butyl 4-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate
CID 46911994
trans-1-Boc-4-aminomethyl-3-hydroxypiperidine
CID 11075229
4-Amino-3-hydroxypiperidine-1-carboxylic acid
CID 18453271
(3S,4S)-4-amino-3-hydroxypiperidine-1-carboxylic acid
CID 18454523
4-(Aminomethyl)-3-ethoxypiperidine-1-carboxylic acid
CID 18613677
4-Carbamimidoyl-3-hydroxypiperidine-1-carboxylic acid
CID 22126727
4-Cyano-3-hydroxypiperidine-1-carboxylic acid
CID 22128049
4-Carbamothioyl-3-hydroxypiperidine-1-carboxylic acid
CID 22128506
3-Hydroxy-4-(hydroxymethyl)piperidine-1-carboxylic acid
CID 22135643
3-Amino-4-(hydroxymethyl)piperidine-1-carboxylic acid
CID 22646920
(3-Hydroxy-piperidin-4-ylmethyl)-carbamic acid ter
CID 53414510
(3S,4S)-3-amino-4-(hydroxymethyl)piperidine-1-carboxylic acid
CID 53629880

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-hydroxypiperidine-1-carboxylic acid?
The IUPAC name of 4-(aminomethyl)-3-hydroxypiperidine-1-carboxylic acid (CID 22135572) is 4-(aminomethyl)-3-hydroxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(aminomethyl)-3-hydroxypiperidine-1-carboxylic acid?
The canonical SMILES for 4-(aminomethyl)-3-hydroxypiperidine-1-carboxylic acid is NCC1CCN(C(=O)O)CC1O.
What is the InChIKey of 4-(aminomethyl)-3-hydroxypiperidine-1-carboxylic acid?
The InChIKey is BTAORBPVVVYJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c8-3-5-1-2-9(7(11)12)4-6(5)10/h5-6,10H,1-4,8H2,(H,11,12).
What are the key properties of 4-(aminomethyl)-3-hydroxypiperidine-1-carboxylic acid?
4-(aminomethyl)-3-hydroxypiperidine-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 4-(aminomethyl)-3-hydroxypiperidine-1-carboxylic acid is sourced from PubChem (CID 22135572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).