4-[ethyl(2-methylpropoxycarbonyl)amino]oxolane-3-carboxylic acid

C12H21NO5 — CID 66246438

IUPAC4-[ethyl(2-methylpropoxycarbonyl)amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)OCC(C)C)C1COCC1C(=O)O
InChIInChI=1S/C12H21NO5/c1-4-13(12(16)18-5-8(2)3)10-7-17-6-9(10)11(14)15/h8-10H,4-7H2,1-3H3,(H,14,15)
InChIKeyGOYOGBZYNFLHEQ-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.20
Rot. Bonds5

About 4-[ethyl(2-methylpropoxycarbonyl)amino]oxolane-3-carboxylic acid

4-[ethyl(2-methylpropoxycarbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 66246438) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is 4-[ethyl(2-methylpropoxycarbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl(2-methylpropoxycarbonyl)amino]oxolane-3-carboxylic acid
PubChem CID66246438
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name4-[ethyl(2-methylpropoxycarbonyl)amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)OCC(C)C)C1COCC1C(=O)O
InChIInChI=1S/C12H21NO5/c1-4-13(12(16)18-5-8(2)3)10-7-17-6-9(10)11(14)15/h8-10H,4-7H2,1-3H3,(H,14,15)
InChIKeyGOYOGBZYNFLHEQ-UHFFFAOYSA-N
XLogP1.20
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[ethyl(2-methylpentanoyl)amino]oxolane-3-carboxylic acid
CID 66245844
4-[ethyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66246734
4-[ethyl(methylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66245135
4-[ethyl-[ethyl(2-methylbutyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 79482624
4-[ethyl(2-methoxypropylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 102699849
4-[ethyl(3-methylbutyl)amino]oxolane-3-carboxylic acid
CID 66245116
4-[(3,5-dimethylpiperidine-1-carbonyl)-ethylamino]oxolane-3-carboxylic acid
CID 66245344
4-[[(2R)-2-aminobutanoyl]-propylamino]oxolane-3-carboxylic acid
CID 66254352
4-[ethyl-[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]oxolane-3-carboxylic acid
CID 112602262
4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl-ethylamino]oxolane-3-carboxylic acid
CID 66246519
4-[cyclopent-3-ene-1-carbonyl(ethyl)amino]oxolane-3-carboxylic acid
CID 66246028
4-[[1-(diethylamino)-1-oxopropan-2-yl]-ethylamino]oxolane-3-carboxylic acid
CID 66246693

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2-methylpropoxycarbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl(2-methylpropoxycarbonyl)amino]oxolane-3-carboxylic acid (CID 66246438) is 4-[ethyl(2-methylpropoxycarbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl(2-methylpropoxycarbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl(2-methylpropoxycarbonyl)amino]oxolane-3-carboxylic acid is CCN(C(=O)OCC(C)C)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl(2-methylpropoxycarbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is GOYOGBZYNFLHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5/c1-4-13(12(16)18-5-8(2)3)10-7-17-6-9(10)11(14)15/h8-10H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 4-[ethyl(2-methylpropoxycarbonyl)amino]oxolane-3-carboxylic acid?
4-[ethyl(2-methylpropoxycarbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 259.30 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2-methylpropoxycarbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66246438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).