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

C14H23N3O4 — CID 79377376

IUPAC1-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)N1CCC(CC(N)=O)CC1
InChIInChI=1S/C14H23N3O4/c1-9-11(13(19)20)4-7-17(9)14(21)16-5-2-10(3-6-16)8-12(15)18/h9-11H,2-8H2,1H3,(H2,15,18)(H,19,20)
InChIKeyHOCNPDREAMKUQI-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.49
Rot. Bonds3

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

1-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 79377376) 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]-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]-2-methylpyrrolidine-3-carboxylic acid
PubChem CID79377376
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name1-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)N1CCC(CC(N)=O)CC1
InChIInChI=1S/C14H23N3O4/c1-9-11(13(19)20)4-7-17(9)14(21)16-5-2-10(3-6-16)8-12(15)18/h9-11H,2-8H2,1H3,(H2,15,18)(H,19,20)
InChIKeyHOCNPDREAMKUQI-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

2-methyl-1-(4-methylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 79363721
2-methyl-1-(3-methylpyrrolidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 79383271
2-methyl-1-(thiomorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 79383102
2-methyl-1-[4-(trifluoromethyl)piperidine-1-carbonyl]pyrrolidine-3-carboxylic acid
CID 79377877
(2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid
CID 137367540
1-(3-methoxy-4-methylpiperidine-1-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 102962516
1-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146890
1-(3,3-dimethylpiperidine-1-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79382487
2-methyl-1-(2-methylmorpholine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 79383557
4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 54876368
2-[1-(4-methylpyrrolidine-3-carbonyl)piperidin-4-yl]acetamide
CID 55228818
2-methyl-1-prop-2-enoylpyrrolidine-3-carboxylic acid
CID 79364112

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]-2-methylpyrrolidine-3-carboxylic acid (CID 79377376) is 1-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]-2-methylpyrrolidine-3-carboxylic acid is CC1C(C(=O)O)CCN1C(=O)N1CCC(CC(N)=O)CC1.
What is the InChIKey of 1-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is HOCNPDREAMKUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-9-11(13(19)20)4-7-17(9)14(21)16-5-2-10(3-6-16)8-12(15)18/h9-11H,2-8H2,1H3,(H2,15,18)(H,19,20).
What are the key properties of 1-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]-2-methylpyrrolidine-3-carboxylic acid?
1-[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]-2-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]-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79377376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).