1-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid

C14H23N3O4 — CID 63146890

IUPAC1-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)N2CCC(CC(N)=O)CC2)C1
InChIInChI=1S/C14H23N3O4/c1-14(12(19)20)4-7-17(9-14)13(21)16-5-2-10(3-6-16)8-11(15)18/h10H,2-9H2,1H3,(H2,15,18)(H,19,20)
InChIKeyHAJIATQJVMPYTI-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.49
Rot. Bonds3

About 1-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid

1-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 63146890) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID63146890
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name1-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)N2CCC(CC(N)=O)CC2)C1
InChIInChI=1S/C14H23N3O4/c1-14(12(19)20)4-7-17(9-14)13(21)16-5-2-10(3-6-16)8-11(15)18/h10H,2-9H2,1H3,(H2,15,18)(H,19,20)
InChIKeyHAJIATQJVMPYTI-UHFFFAOYSA-N
XLogP0.49
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146888
1-[4-(dimethylamino)piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149105
1-(3-hydroxypyrrolidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55166354
1-(4,4-dimethylazepane-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 65282949
2-[1-(4,4-dimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid
CID 79605697
1-(3-aminopyrrolidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 55176605
1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123868
1-(3-methoxypyrrolidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 103536063
3-methylpyrrolidine-1,3-dicarboxylic acid
CID 23111893
1-(2-cycloheptylacetyl)-4-methylpiperidine-4-carboxylic acid
CID 115924013
1-(3-aminopiperidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63124373
3-methyl-1-(1,4-oxazepane-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63148214

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid (CID 63146890) is 1-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)N2CCC(CC(N)=O)CC2)C1.
What is the InChIKey of 1-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is HAJIATQJVMPYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-14(12(19)20)4-7-17(9-14)13(21)16-5-2-10(3-6-16)8-11(15)18/h10H,2-9H2,1H3,(H2,15,18)(H,19,20).
What are the key properties of 1-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 297.36 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63146890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).