3-(aminomethyl)piperidine-3-carboxylic acid

C7H14N2O2 — CID 130939829

IUPAC3-(aminomethyl)piperidine-3-carboxylic acid
SMILESNCC1(C(=O)O)CCCNC1
InChIInChI=1S/C7H14N2O2/c8-4-7(6(10)11)2-1-3-9-5-7/h9H,1-5,8H2,(H,10,11)
InChIKeyQBKVAGQGXXNHGA-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.60
Rot. Bonds2

About 3-(aminomethyl)piperidine-3-carboxylic acid

3-(aminomethyl)piperidine-3-carboxylic acid (PubChem CID 130939829) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 3-(aminomethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(aminomethyl)piperidine-3-carboxylic acid
PubChem CID130939829
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name3-(aminomethyl)piperidine-3-carboxylic acid
SMILESNCC1(C(=O)O)CCCNC1
InChIInChI=1S/C7H14N2O2/c8-4-7(6(10)11)2-1-3-9-5-7/h9H,1-5,8H2,(H,10,11)
InChIKeyQBKVAGQGXXNHGA-UHFFFAOYSA-N
XLogP-0.60
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)cyclobutane-1-carboxylic acid
CID 23405971
3-(methoxymethyl)piperidine-3-carboxylic acid;hydrochloride
CID 122163546
chloroethane;3-propylpiperidine-3-carboxylic acid
CID 158782961
3-(6-hydroxyhexyl)piperidine-3-carboxylic acid
CID 107704736
3-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboxylic acid
CID 102899317
3-(4-methoxybutyl)piperidine-3-carboxylic acid
CID 104648540
3-[3-(oxolan-2-yl)propyl]piperidine-3-carboxylic acid
CID 65162206
(3R)-3-(2-oxo-2-phenylmethoxyethyl)piperidine-3-carboxylic acid
CID 124673479
3-(thiophen-2-ylmethyl)piperidine-3-carboxylic acid
CID 63132024
3-[(4-bromo-2-fluorophenyl)methyl]piperidine-3-carboxylic acid
CID 63132459
3-(thiadiazol-5-ylmethyl)piperidine-3-carboxylic acid
CID 130600056
1-[(1-carboxycyclopentyl)methyl]cyclopentane-1-carboxylic acid
CID 19091044

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-(aminomethyl)piperidine-3-carboxylic acid (CID 130939829) is 3-(aminomethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-(aminomethyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-(aminomethyl)piperidine-3-carboxylic acid is NCC1(C(=O)O)CCCNC1.
What is the InChIKey of 3-(aminomethyl)piperidine-3-carboxylic acid?
The InChIKey is QBKVAGQGXXNHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c8-4-7(6(10)11)2-1-3-9-5-7/h9H,1-5,8H2,(H,10,11).
What are the key properties of 3-(aminomethyl)piperidine-3-carboxylic acid?
3-(aminomethyl)piperidine-3-carboxylic acid has a molecular weight of 158.20 g/mol, XLogP of -0.60, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 130939829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).