4-[(2-acetamidoacetyl)-ethylamino]oxolane-3-carboxylic acid

C11H18N2O5 — CID 66245449

IUPAC4-[(2-acetamidoacetyl)-ethylamino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)CNC(C)=O)C1COCC1C(=O)O
InChIInChI=1S/C11H18N2O5/c1-3-13(10(15)4-12-7(2)14)9-6-18-5-8(9)11(16)17/h8-9H,3-6H2,1-2H3,(H,12,14)(H,16,17)
InChIKeyIPMDCUGUKVKIRY-UHFFFAOYSA-N
MW258.27 g/mol
LogP-0.93
Rot. Bonds5

About 4-[(2-acetamidoacetyl)-ethylamino]oxolane-3-carboxylic acid

4-[(2-acetamidoacetyl)-ethylamino]oxolane-3-carboxylic acid (PubChem CID 66245449) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 4-[(2-acetamidoacetyl)-ethylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-acetamidoacetyl)-ethylamino]oxolane-3-carboxylic acid
PubChem CID66245449
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name4-[(2-acetamidoacetyl)-ethylamino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)CNC(C)=O)C1COCC1C(=O)O
InChIInChI=1S/C11H18N2O5/c1-3-13(10(15)4-12-7(2)14)9-6-18-5-8(9)11(16)17/h8-9H,3-6H2,1-2H3,(H,12,14)(H,16,17)
InChIKeyIPMDCUGUKVKIRY-UHFFFAOYSA-N
XLogP-0.93
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]oxolane-3-carboxylic acid
CID 66246837
4-[ethyl(methylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66245135
4-[[2-(methylamino)acetyl]-propylamino]oxolane-3-carboxylic acid
CID 66254737
4-[ethyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]oxolane-3-carboxylic acid
CID 112602262
4-[3-acetamidopropanoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66235946
4-[ethyl-[2-(4-methylphenyl)acetyl]amino]oxolane-3-carboxylic acid
CID 66246021
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[ethyl-[ethyl(2-methylprop-2-enyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66245341
4-[ethyl-[(3-methoxy-3-oxopropyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66245936
4-[[2-(cyanomethylsulfanyl)acetyl]-ethylamino]oxolane-3-carboxylic acid
CID 66247828
4-[cyclopent-3-ene-1-carbonyl(ethyl)amino]oxolane-3-carboxylic acid
CID 66246028
4-[ethyl(oxan-4-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66246319

Frequently Asked Questions

What is the IUPAC name of 4-[(2-acetamidoacetyl)-ethylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(2-acetamidoacetyl)-ethylamino]oxolane-3-carboxylic acid (CID 66245449) is 4-[(2-acetamidoacetyl)-ethylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(2-acetamidoacetyl)-ethylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(2-acetamidoacetyl)-ethylamino]oxolane-3-carboxylic acid is CCN(C(=O)CNC(C)=O)C1COCC1C(=O)O.
What is the InChIKey of 4-[(2-acetamidoacetyl)-ethylamino]oxolane-3-carboxylic acid?
The InChIKey is IPMDCUGUKVKIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-3-13(10(15)4-12-7(2)14)9-6-18-5-8(9)11(16)17/h8-9H,3-6H2,1-2H3,(H,12,14)(H,16,17).
What are the key properties of 4-[(2-acetamidoacetyl)-ethylamino]oxolane-3-carboxylic acid?
4-[(2-acetamidoacetyl)-ethylamino]oxolane-3-carboxylic acid has a molecular weight of 258.27 g/mol, XLogP of -0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-acetamidoacetyl)-ethylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66245449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).