3-amino-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-3-carboxylic acid

C13H23N3O3 — CID 107324601

IUPAC3-amino-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESCC1CCCN(C(=O)CN2CCC(N)(C(=O)O)C2)C1
InChIInChI=1S/C13H23N3O3/c1-10-3-2-5-16(7-10)11(17)8-15-6-4-13(14,9-15)12(18)19/h10H,2-9,14H2,1H3,(H,18,19)
InChIKeyCQALODLLWSWBDU-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.27
Rot. Bonds3

About 3-amino-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-3-carboxylic acid

3-amino-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-3-carboxylic acid (PubChem CID 107324601) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-amino-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-3-carboxylic acid
PubChem CID107324601
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name3-amino-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESCC1CCCN(C(=O)CN2CCC(N)(C(=O)O)C2)C1
InChIInChI=1S/C13H23N3O3/c1-10-3-2-5-16(7-10)11(17)8-15-6-4-13(14,9-15)12(18)19/h10H,2-9,14H2,1H3,(H,18,19)
InChIKeyCQALODLLWSWBDU-UHFFFAOYSA-N
XLogP-0.27
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxy-4-methylazepan-1-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 107407870
2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 81107738
3-amino-1-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107324628
2-[1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]acetic acid
CID 62689102
3-amino-1-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107324715
3-amino-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107324654
2-[3-(methylamino)pyrrolidin-1-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 115300483
1-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 39981031
(1-aminocyclopropyl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 89395545
4-[(3R)-3-methylpiperidin-1-yl]-4-oxobutanoic acid
CID 40543101
1-[2-(3-methylpiperidin-1-yl)acetyl]piperidin-4-one
CID 43229392
2-amino-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanylbutanoic acid
CID 60929526

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-3-carboxylic acid (CID 107324601) is 3-amino-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-3-carboxylic acid is CC1CCCN(C(=O)CN2CCC(N)(C(=O)O)C2)C1.
What is the InChIKey of 3-amino-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is CQALODLLWSWBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-10-3-2-5-16(7-10)11(17)8-15-6-4-13(14,9-15)12(18)19/h10H,2-9,14H2,1H3,(H,18,19).
What are the key properties of 3-amino-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
3-amino-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of -0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107324601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).