(3R)-1-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]piperidine-3-carboxylic acid

C13H23N3O5 — CID 81120354

IUPAC(3R)-1-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCOCCNC(=O)CN(C)C(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H23N3O5/c1-15(9-11(17)14-5-7-21-2)13(20)16-6-3-4-10(8-16)12(18)19/h10H,3-9H2,1-2H3,(H,14,17)(H,18,19)/t10-/m1/s1
InChIKeySNYBVGDMJHBANA-SNVBAGLBSA-N
MW301.34 g/mol
LogP-0.40
Rot. Bonds6

About (3R)-1-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]piperidine-3-carboxylic acid

(3R)-1-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 81120354) has the molecular formula C13H23N3O5 and a molecular weight of 301.34 g/mol. Its IUPAC name is (3R)-1-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID81120354
Molecular FormulaC13H23N3O5
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC Name(3R)-1-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCOCCNC(=O)CN(C)C(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H23N3O5/c1-15(9-11(17)14-5-7-21-2)13(20)16-6-3-4-10(8-16)12(18)19/h10H,3-9H2,1-2H3,(H,14,17)(H,18,19)/t10-/m1/s1
InChIKeySNYBVGDMJHBANA-SNVBAGLBSA-N
XLogP-0.40
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 5-0.40
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

(3S)-1-(2-methoxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 28512077
1-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031058
1-[2-methoxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030368
(3R)-1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81119985
(3R)-1-[3-(dimethylamino)propyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120822
(3S)-1-[cyclobutylmethyl(methyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126254
1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]piperidine-3-carboxylic acid
CID 79385471
1-(5-methoxypentanoyl)piperidine-3-carboxylic acid
CID 119167281
(3S)-1-[2-methoxyethyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81118499
(3R)-1-[2-cyanoethyl(methyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120881
N-[2-(ethylamino)-2-oxoethyl]-N-methylazepane-1-carboxamide
CID 116654823
(3R)-1-[2-(2-methoxyethoxy)acetyl]piperidine-3-carboxylic acid
CID 81118783

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]piperidine-3-carboxylic acid (CID 81120354) is (3R)-1-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]piperidine-3-carboxylic acid is COCCNC(=O)CN(C)C(=O)N1CCC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is SNYBVGDMJHBANA-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H23N3O5/c1-15(9-11(17)14-5-7-21-2)13(20)16-6-3-4-10(8-16)12(18)19/h10H,3-9H2,1-2H3,(H,14,17)(H,18,19)/t10-/m1/s1.
What are the key properties of (3R)-1-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]piperidine-3-carboxylic acid?
(3R)-1-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 301.34 g/mol, XLogP of -0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81120354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).