1-[2-(3-methoxypropylamino)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid

C12H20N2O5 — CID 62216740

IUPAC1-[2-(3-methoxypropylamino)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid
SMILESCOCCCNC(=O)CN1CC(C(=O)O)CCC1=O
InChIInChI=1S/C12H20N2O5/c1-19-6-2-5-13-10(15)8-14-7-9(12(17)18)3-4-11(14)16/h9H,2-8H2,1H3,(H,13,15)(H,17,18)
InChIKeyJSDGCPXTJLPYRU-UHFFFAOYSA-N
MW272.30 g/mol
LogP-0.54
Rot. Bonds7

About 1-[2-(3-methoxypropylamino)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid

1-[2-(3-methoxypropylamino)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid (PubChem CID 62216740) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-[2-(3-methoxypropylamino)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(3-methoxypropylamino)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid
PubChem CID62216740
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name1-[2-(3-methoxypropylamino)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid
SMILESCOCCCNC(=O)CN1CC(C(=O)O)CCC1=O
InChIInChI=1S/C12H20N2O5/c1-19-6-2-5-13-10(15)8-14-7-9(12(17)18)3-4-11(14)16/h9H,2-8H2,1H3,(H,13,15)(H,17,18)
InChIKeyJSDGCPXTJLPYRU-UHFFFAOYSA-N
XLogP-0.54
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3-methoxypropylamino)-2-oxoethyl]-5-oxopyrrolidine-2-carboxylic acid
CID 55136075
N-(3-methoxypropyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 94869868
1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-6-oxopiperidine-3-carboxylic acid
CID 114113205
1-[2-(4-methylanilino)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid
CID 62230640
N-(3-methoxypropyl)-2-(2-oxopiperazin-1-yl)acetamide
CID 62310212
methyl 1-(2-methoxyethyl)-6-oxopiperidine-3-carboxylate
CID 102569899
1-(2-methoxyethyl)-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 45208370
6-oxo-1-pentylpiperidine-3-carboxylic acid
CID 62230465
2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 79410145
methyl 1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112730658
N-[2-(2-methoxyethoxy)ethyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78874251
6-oxo-1-tetradecylpiperidine-3-carboxylic acid
CID 123215271

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxypropylamino)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(3-methoxypropylamino)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid (CID 62216740) is 1-[2-(3-methoxypropylamino)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(3-methoxypropylamino)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(3-methoxypropylamino)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid is COCCCNC(=O)CN1CC(C(=O)O)CCC1=O.
What is the InChIKey of 1-[2-(3-methoxypropylamino)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid?
The InChIKey is JSDGCPXTJLPYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-19-6-2-5-13-10(15)8-14-7-9(12(17)18)3-4-11(14)16/h9H,2-8H2,1H3,(H,13,15)(H,17,18).
What are the key properties of 1-[2-(3-methoxypropylamino)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid?
1-[2-(3-methoxypropylamino)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of -0.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxypropylamino)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 62216740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).