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

C7H14N2O3 — CID 150494906

IUPAC2-(aminomethyl)-3-hydroxypiperidine-1-carboxylic acid
SMILESNCC1C(O)CCCN1C(=O)O
InChIInChI=1S/C7H14N2O3/c8-4-5-6(10)2-1-3-9(5)7(11)12/h5-6,10H,1-4,8H2,(H,11,12)
InChIKeyHWOTUKHYMWBWSK-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.55
Rot. Bonds1

About 2-(aminomethyl)-3-hydroxypiperidine-1-carboxylic acid

2-(aminomethyl)-3-hydroxypiperidine-1-carboxylic acid (PubChem CID 150494906) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-(aminomethyl)-3-hydroxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(aminomethyl)-3-hydroxypiperidine-1-carboxylic acid
PubChem CID150494906
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name2-(aminomethyl)-3-hydroxypiperidine-1-carboxylic acid
SMILESNCC1C(O)CCCN1C(=O)O
InChIInChI=1S/C7H14N2O3/c8-4-5-6(10)2-1-3-9(5)7(11)12/h5-6,10H,1-4,8H2,(H,11,12)
InChIKeyHWOTUKHYMWBWSK-UHFFFAOYSA-N
XLogP-0.55
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 ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(aminomethyl)piperidine-1-carboxylic acid
CID 67494395
(2S)-3-hydroxy-2-methylpiperidine-1-carboxylic acid
CID 67727161
(2S)-2-(aminomethyl)pyrrolidine-1-carboxylic acid;2-chloro-2-methylpropane
CID 175444438
2-butyl-3-hydroxypyrrolidine-1-carboxylic acid
CID 70108926
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
CID 28706917
2-fluoropyrrolidine-1-carboxylic acid
CID 23110189
1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 28706895
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 58333551
[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-cyclopentylmethanone
CID 95320415
1-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 96680756
[2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119261191
phenyl 2-(aminomethyl)pyrrolidine-1-carboxylate
CID 63765586

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-hydroxypiperidine-1-carboxylic acid?
The IUPAC name of 2-(aminomethyl)-3-hydroxypiperidine-1-carboxylic acid (CID 150494906) is 2-(aminomethyl)-3-hydroxypiperidine-1-carboxylic acid.
What is the SMILES notation for 2-(aminomethyl)-3-hydroxypiperidine-1-carboxylic acid?
The canonical SMILES for 2-(aminomethyl)-3-hydroxypiperidine-1-carboxylic acid is NCC1C(O)CCCN1C(=O)O.
What is the InChIKey of 2-(aminomethyl)-3-hydroxypiperidine-1-carboxylic acid?
The InChIKey is HWOTUKHYMWBWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c8-4-5-6(10)2-1-3-9(5)7(11)12/h5-6,10H,1-4,8H2,(H,11,12).
What are the key properties of 2-(aminomethyl)-3-hydroxypiperidine-1-carboxylic acid?
2-(aminomethyl)-3-hydroxypiperidine-1-carboxylic acid has a molecular weight of 174.20 g/mol, XLogP of -0.55, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-hydroxypiperidine-1-carboxylic acid is sourced from PubChem (CID 150494906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).