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

C12H22N2O5 — CID 102699849

IUPAC4-[ethyl(2-methoxypropylcarbamoyl)amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)NCC(C)OC)C1COCC1C(=O)O
InChIInChI=1S/C12H22N2O5/c1-4-14(12(17)13-5-8(2)18-3)10-7-19-6-9(10)11(15)16/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyZTOGFTPWXWAUKQ-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.15
Rot. Bonds6

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

4-[ethyl(2-methoxypropylcarbamoyl)amino]oxolane-3-carboxylic acid (PubChem CID 102699849) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-[ethyl(2-methoxypropylcarbamoyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl(2-methoxypropylcarbamoyl)amino]oxolane-3-carboxylic acid
PubChem CID102699849
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name4-[ethyl(2-methoxypropylcarbamoyl)amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)NCC(C)OC)C1COCC1C(=O)O
InChIInChI=1S/C12H22N2O5/c1-4-14(12(17)13-5-8(2)18-3)10-7-19-6-9(10)11(15)16/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyZTOGFTPWXWAUKQ-UHFFFAOYSA-N
XLogP0.15
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[ethyl-[(3-methoxy-3-oxopropyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66245936
4-[ethyl(methylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66245135
4-[ethyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66246734
4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl-ethylamino]oxolane-3-carboxylic acid
CID 66246519
4-[ethyl(2-methylpropoxycarbonyl)amino]oxolane-3-carboxylic acid
CID 66246438
4-[ethyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]oxolane-3-carboxylic acid
CID 66245904
4-[ethyl(oxan-4-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66246319
4-[ethyl(pyridin-4-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66245923
4-[(2-acetamidoacetyl)-ethylamino]oxolane-3-carboxylic acid
CID 66245449
4-[ethyl(2-methylpentanoyl)amino]oxolane-3-carboxylic acid
CID 66245844
4-[ethyl(2-pyrazol-1-ylethylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66246127
4-[ethyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 106402658

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2-methoxypropylcarbamoyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl(2-methoxypropylcarbamoyl)amino]oxolane-3-carboxylic acid (CID 102699849) is 4-[ethyl(2-methoxypropylcarbamoyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl(2-methoxypropylcarbamoyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl(2-methoxypropylcarbamoyl)amino]oxolane-3-carboxylic acid is CCN(C(=O)NCC(C)OC)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl(2-methoxypropylcarbamoyl)amino]oxolane-3-carboxylic acid?
The InChIKey is ZTOGFTPWXWAUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-4-14(12(17)13-5-8(2)18-3)10-7-19-6-9(10)11(15)16/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 4-[ethyl(2-methoxypropylcarbamoyl)amino]oxolane-3-carboxylic acid?
4-[ethyl(2-methoxypropylcarbamoyl)amino]oxolane-3-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2-methoxypropylcarbamoyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 102699849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).