2-[1-(4-aminopiperidine-1-carbonyl)pyrrolidin-2-yl]acetic acid

C12H21N3O3 — CID 61403064

IUPAC2-[1-(4-aminopiperidine-1-carbonyl)pyrrolidin-2-yl]acetic acid
SMILESNC1CCN(C(=O)N2CCCC2CC(=O)O)CC1
InChIInChI=1S/C12H21N3O3/c13-9-3-6-14(7-4-9)12(18)15-5-1-2-10(15)8-11(16)17/h9-10H,1-8,13H2,(H,16,17)
InChIKeyQBEAEFHGOKSHOF-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.47
Rot. Bonds2

About 2-[1-(4-aminopiperidine-1-carbonyl)pyrrolidin-2-yl]acetic acid

2-[1-(4-aminopiperidine-1-carbonyl)pyrrolidin-2-yl]acetic acid (PubChem CID 61403064) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[1-(4-aminopiperidine-1-carbonyl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-aminopiperidine-1-carbonyl)pyrrolidin-2-yl]acetic acid
PubChem CID61403064
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name2-[1-(4-aminopiperidine-1-carbonyl)pyrrolidin-2-yl]acetic acid
SMILESNC1CCN(C(=O)N2CCCC2CC(=O)O)CC1
InChIInChI=1S/C12H21N3O3/c13-9-3-6-14(7-4-9)12(18)15-5-1-2-10(15)8-11(16)17/h9-10H,1-8,13H2,(H,16,17)
InChIKeyQBEAEFHGOKSHOF-UHFFFAOYSA-N
XLogP0.47
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 ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[4-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-yl]acetic acid
CID 61369998
2-[1-(4-acetylpiperazine-1-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61370184
2-[1-(piperidine-1-carbonyl)piperidin-2-yl]acetic acid
CID 61181297
2-[1-(morpholine-4-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61370369
2-[1-(4-hydroxypiperidine-1-carbonyl)piperidin-2-yl]acetic acid
CID 61190975
2-[1-(4-methoxypiperidine-1-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61370775
2-[1-[2-(4-aminopiperidin-1-yl)acetyl]pyrrolidin-2-yl]acetic acid
CID 79327798
2-[1-[4-(2-hydroxyethyl)piperazine-1-carbonyl]pyrrolidin-2-yl]acetic acid
CID 61370200
2-[1-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrrolidin-2-yl]acetic acid
CID 62777322
2-[1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidin-2-yl]acetic acid
CID 114538816
2-[1-(3-aminocyclopentanecarbonyl)pyrrolidin-2-yl]acetic acid
CID 66010040
2-[1-(2-propylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid
CID 83045912

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-aminopiperidine-1-carbonyl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(4-aminopiperidine-1-carbonyl)pyrrolidin-2-yl]acetic acid (CID 61403064) is 2-[1-(4-aminopiperidine-1-carbonyl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-aminopiperidine-1-carbonyl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(4-aminopiperidine-1-carbonyl)pyrrolidin-2-yl]acetic acid is NC1CCN(C(=O)N2CCCC2CC(=O)O)CC1.
What is the InChIKey of 2-[1-(4-aminopiperidine-1-carbonyl)pyrrolidin-2-yl]acetic acid?
The InChIKey is QBEAEFHGOKSHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c13-9-3-6-14(7-4-9)12(18)15-5-1-2-10(15)8-11(16)17/h9-10H,1-8,13H2,(H,16,17).
What are the key properties of 2-[1-(4-aminopiperidine-1-carbonyl)pyrrolidin-2-yl]acetic acid?
2-[1-(4-aminopiperidine-1-carbonyl)pyrrolidin-2-yl]acetic acid has a molecular weight of 255.32 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-aminopiperidine-1-carbonyl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61403064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).