1-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidine-3-carboxylic acid

C12H21N3O3 — CID 62064175

IUPAC1-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidine-3-carboxylic acid
SMILESNCC1CCN(C(=O)N2CCCC(C(=O)O)C2)C1
InChIInChI=1S/C12H21N3O3/c13-6-9-3-5-15(7-9)12(18)14-4-1-2-10(8-14)11(16)17/h9-10H,1-8,13H2,(H,16,17)
InChIKeyOSYHVTUZRIDHNX-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.18
Rot. Bonds2

About 1-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidine-3-carboxylic acid

1-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidine-3-carboxylic acid (PubChem CID 62064175) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidine-3-carboxylic acid
PubChem CID62064175
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name1-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidine-3-carboxylic acid
SMILESNCC1CCN(C(=O)N2CCCC(C(=O)O)C2)C1
InChIInChI=1S/C12H21N3O3/c13-6-9-3-5-15(7-9)12(18)14-4-1-2-10(8-14)11(16)17/h9-10H,1-8,13H2,(H,16,17)
InChIKeyOSYHVTUZRIDHNX-UHFFFAOYSA-N
XLogP0.18
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(4-aminopiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81125729
(3R)-1-(3-propylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 113418347
(3S)-1-[3-(2-hydroxyethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 107228221
[3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone
CID 62067909
[3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260304
[3-(aminomethyl)piperidin-1-yl]-cyclooctylmethanone
CID 65019049
(3R)-1-(4-hydroxy-3-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 104941009
(3R)-1-(3,4-dihydroxypyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 106670650
1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136251
(3R)-1-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81120190
[3-(aminomethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260151
(3R)-1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)piperidine-3-carboxylic acid
CID 81126775

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidine-3-carboxylic acid (CID 62064175) is 1-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidine-3-carboxylic acid is NCC1CCN(C(=O)N2CCCC(C(=O)O)C2)C1.
What is the InChIKey of 1-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidine-3-carboxylic acid?
The InChIKey is OSYHVTUZRIDHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c13-6-9-3-5-15(7-9)12(18)14-4-1-2-10(8-14)11(16)17/h9-10H,1-8,13H2,(H,16,17).
What are the key properties of 1-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidine-3-carboxylic acid?
1-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidine-3-carboxylic acid has a molecular weight of 255.32 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 62064175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).