5-(cyclopropylamino)-1-(2-methoxy-2-oxoethyl)piperidine-3-carboxylic acid

C12H20N2O4 — CID 83991941

IUPAC5-(cyclopropylamino)-1-(2-methoxy-2-oxoethyl)piperidine-3-carboxylic acid
SMILESCOC(=O)CN1CC(NC2CC2)CC(C(=O)O)C1
InChIInChI=1S/C12H20N2O4/c1-18-11(15)7-14-5-8(12(16)17)4-10(6-14)13-9-2-3-9/h8-10,13H,2-7H2,1H3,(H,16,17)
InChIKeyBVOYBRDQSQQKDR-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.31
Rot. Bonds5

About 5-(cyclopropylamino)-1-(2-methoxy-2-oxoethyl)piperidine-3-carboxylic acid

5-(cyclopropylamino)-1-(2-methoxy-2-oxoethyl)piperidine-3-carboxylic acid (PubChem CID 83991941) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 5-(cyclopropylamino)-1-(2-methoxy-2-oxoethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(cyclopropylamino)-1-(2-methoxy-2-oxoethyl)piperidine-3-carboxylic acid
PubChem CID83991941
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name5-(cyclopropylamino)-1-(2-methoxy-2-oxoethyl)piperidine-3-carboxylic acid
SMILESCOC(=O)CN1CC(NC2CC2)CC(C(=O)O)C1
InChIInChI=1S/C12H20N2O4/c1-18-11(15)7-14-5-8(12(16)17)4-10(6-14)13-9-2-3-9/h8-10,13H,2-7H2,1H3,(H,16,17)
InChIKeyBVOYBRDQSQQKDR-UHFFFAOYSA-N
XLogP-0.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxy-2-oxoethyl)-5-(methylamino)piperidine-3-carboxylic acid
CID 83990036
methyl 2-[3-(cyclopropylamino)-5-propan-2-ylpiperidin-1-yl]acetate
CID 83991939
1-(2-amino-2-oxoethyl)-5-(cyclohexylamino)piperidine-3-carboxylic acid
CID 83999596
methyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclopropylamino)piperidin-3-yl]acetate
CID 83991990
5-(cyclohexylamino)-1-(2-methylpropyl)piperidine-3-carboxylic acid
CID 83999077
methyl 2-[3-(cyclohexylamino)piperidin-1-yl]acetate
CID 83999544
ethyl 2-[3-(cyclopropylamino)-5-ethylpiperidin-1-yl]acetate
CID 83991946
methyl 2-[3-methyl-5-(methylamino)piperidin-1-yl]acetate
CID 83990030
2-[3-(cyclopropylamino)-5-ethylpiperidin-1-yl]acetic acid
CID 83991921
1-(2-acetamidoethyl)-5-(cyclohexylamino)piperidine-3-carboxylic acid
CID 83999658
methyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclohexylamino)piperidin-3-yl]acetate
CID 83999600
methyl 1-(2-methoxy-2-oxoethyl)pyrrolidine-3-carboxylate
CID 14235523

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylamino)-1-(2-methoxy-2-oxoethyl)piperidine-3-carboxylic acid?
The IUPAC name of 5-(cyclopropylamino)-1-(2-methoxy-2-oxoethyl)piperidine-3-carboxylic acid (CID 83991941) is 5-(cyclopropylamino)-1-(2-methoxy-2-oxoethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 5-(cyclopropylamino)-1-(2-methoxy-2-oxoethyl)piperidine-3-carboxylic acid?
The canonical SMILES for 5-(cyclopropylamino)-1-(2-methoxy-2-oxoethyl)piperidine-3-carboxylic acid is COC(=O)CN1CC(NC2CC2)CC(C(=O)O)C1.
What is the InChIKey of 5-(cyclopropylamino)-1-(2-methoxy-2-oxoethyl)piperidine-3-carboxylic acid?
The InChIKey is BVOYBRDQSQQKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-18-11(15)7-14-5-8(12(16)17)4-10(6-14)13-9-2-3-9/h8-10,13H,2-7H2,1H3,(H,16,17).
What are the key properties of 5-(cyclopropylamino)-1-(2-methoxy-2-oxoethyl)piperidine-3-carboxylic acid?
5-(cyclopropylamino)-1-(2-methoxy-2-oxoethyl)piperidine-3-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of -0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylamino)-1-(2-methoxy-2-oxoethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 83991941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).