1-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoyl]azetidine-3-carboxylic acid

C11H19N3O5 — CID 113408030

IUPAC1-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoyl]azetidine-3-carboxylic acid
SMILESCOCCNC(=O)C(C)NC(=O)N1CC(C(=O)O)C1
InChIInChI=1S/C11H19N3O5/c1-7(9(15)12-3-4-19-2)13-11(18)14-5-8(6-14)10(16)17/h7-8H,3-6H2,1-2H3,(H,12,15)(H,13,18)(H,16,17)
InChIKeyIGPIJJDFZKGJEB-UHFFFAOYSA-N
MW273.29 g/mol
LogP-1.14
Rot. Bonds6

About 1-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoyl]azetidine-3-carboxylic acid

1-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoyl]azetidine-3-carboxylic acid (PubChem CID 113408030) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is 1-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoyl]azetidine-3-carboxylic acid
PubChem CID113408030
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Name1-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoyl]azetidine-3-carboxylic acid
SMILESCOCCNC(=O)C(C)NC(=O)N1CC(C(=O)O)C1
InChIInChI=1S/C11H19N3O5/c1-7(9(15)12-3-4-19-2)13-11(18)14-5-8(6-14)10(16)17/h7-8H,3-6H2,1-2H3,(H,12,15)(H,13,18)(H,16,17)
InChIKeyIGPIJJDFZKGJEB-UHFFFAOYSA-N
XLogP-1.14
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,2R)-2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 114092791
(3S)-1-(2-methoxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 28512077
1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
CID 55150446
1-[[(2R)-butan-2-yl]carbamoyl]azetidine-3-carboxylic acid
CID 167134950
1-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-4-carboxylic acid
CID 61478723
2-(dicyclopropylmethylamino)-N-(2-methoxyethyl)propanamide
CID 60714122
N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-2-methyl-3-(methylamino)propanamide
CID 113407197
1-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]azetidine-3-carboxylic acid
CID 114469392
2-(cyclobutylcarbamoylamino)-N-(2-methoxyethyl)propanamide
CID 116657734
2-amino-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide
CID 113407184
(3R)-1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81119985
1-(4-methoxybutylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
CID 122122197

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoyl]azetidine-3-carboxylic acid (CID 113408030) is 1-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoyl]azetidine-3-carboxylic acid is COCCNC(=O)C(C)NC(=O)N1CC(C(=O)O)C1.
What is the InChIKey of 1-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoyl]azetidine-3-carboxylic acid?
The InChIKey is IGPIJJDFZKGJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5/c1-7(9(15)12-3-4-19-2)13-11(18)14-5-8(6-14)10(16)17/h7-8H,3-6H2,1-2H3,(H,12,15)(H,13,18)(H,16,17).
What are the key properties of 1-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoyl]azetidine-3-carboxylic acid?
1-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoyl]azetidine-3-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of -1.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 113408030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).