1-(3-aminopyrrolidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid

C12H21N3O3 — CID 55176605

IUPAC1-(3-aminopyrrolidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)N2CCC(N)C2)CC1
InChIInChI=1S/C12H21N3O3/c1-12(10(16)17)3-6-14(7-4-12)11(18)15-5-2-9(13)8-15/h9H,2-8,13H2,1H3,(H,16,17)
InChIKeyHEVXBIYJVLBNPL-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.33
Rot. Bonds1

About 1-(3-aminopyrrolidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid

1-(3-aminopyrrolidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid (PubChem CID 55176605) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(3-aminopyrrolidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-aminopyrrolidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid
PubChem CID55176605
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name1-(3-aminopyrrolidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)N2CCC(N)C2)CC1
InChIInChI=1S/C12H21N3O3/c1-12(10(16)17)3-6-14(7-4-12)11(18)15-5-2-9(13)8-15/h9H,2-8,13H2,1H3,(H,16,17)
InChIKeyHEVXBIYJVLBNPL-UHFFFAOYSA-N
XLogP0.33
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminopiperidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63124373
1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123868
4-methyl-1-(3-methylpiperidine-1-carbonyl)piperidine-4-carboxylic acid
CID 63123499
4-methyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 55177179
1-(3-hydroxypyrrolidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55166354
1-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146890
4-methyl-1-(2-methylmorpholine-4-carbonyl)piperidine-4-carboxylic acid
CID 55177373
1-(4,4-dimethylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 63032464
1-[4-(dimethylamino)piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149105
1-(3-methoxypyrrolidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 103536063
1-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146888
1-[3-(aminomethyl)pyrrolidine-1-carbonyl]-4-ethylpiperidine-4-carboxylic acid
CID 63127514

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopyrrolidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3-aminopyrrolidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid (CID 55176605) is 1-(3-aminopyrrolidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-aminopyrrolidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-aminopyrrolidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid is CC1(C(=O)O)CCN(C(=O)N2CCC(N)C2)CC1.
What is the InChIKey of 1-(3-aminopyrrolidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid?
The InChIKey is HEVXBIYJVLBNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-12(10(16)17)3-6-14(7-4-12)11(18)15-5-2-9(13)8-15/h9H,2-8,13H2,1H3,(H,16,17).
What are the key properties of 1-(3-aminopyrrolidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid?
1-(3-aminopyrrolidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid has a molecular weight of 255.32 g/mol, XLogP of 0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopyrrolidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 55176605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).