4-[ethyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]oxolane-3-carboxylic acid

C14H26N2O5 — CID 66246734

IUPAC4-[ethyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)NC(COC)C(C)C)C1COCC1C(=O)O
InChIInChI=1S/C14H26N2O5/c1-5-16(12-8-21-6-10(12)13(17)18)14(19)15-11(7-20-4)9(2)3/h9-12H,5-8H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyWOFIVVSEWCENJO-UHFFFAOYSA-N
MW302.37 g/mol
LogP0.79
Rot. Bonds7

About 4-[ethyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]oxolane-3-carboxylic acid

4-[ethyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]oxolane-3-carboxylic acid (PubChem CID 66246734) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is 4-[ethyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]oxolane-3-carboxylic acid
PubChem CID66246734
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Name4-[ethyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)NC(COC)C(C)C)C1COCC1C(=O)O
InChIInChI=1S/C14H26N2O5/c1-5-16(12-8-21-6-10(12)13(17)18)14(19)15-11(7-20-4)9(2)3/h9-12H,5-8H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyWOFIVVSEWCENJO-UHFFFAOYSA-N
XLogP0.79
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl-ethylamino]oxolane-3-carboxylic acid
CID 66246519
4-[ethyl(2-methoxypropylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 102699849
4-[ethyl(methylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66245135
4-[ethyl-[(3-methoxy-3-oxopropyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66245936
4-[ethyl(2-methylpropoxycarbonyl)amino]oxolane-3-carboxylic acid
CID 66246438
4-[1-ethoxypropan-2-ylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid
CID 66252537
4-[[ethyl(1-methoxypropan-2-yl)carbamoyl]-methylamino]oxolane-3-carboxylic acid
CID 66267313
4-[ethyl(oxan-4-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66246319
4-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]oxolane-3-carboxylic acid
CID 66235786
4-[(2-amino-3-methoxypropanoyl)-propylamino]oxolane-3-carboxylic acid
CID 81101959
4-[ethyl(2-methylpentanoyl)amino]oxolane-3-carboxylic acid
CID 66245844
3-[cyclopropyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]propanoic acid
CID 65048180

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]oxolane-3-carboxylic acid (CID 66246734) is 4-[ethyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]oxolane-3-carboxylic acid is CCN(C(=O)NC(COC)C(C)C)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is WOFIVVSEWCENJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5/c1-5-16(12-8-21-6-10(12)13(17)18)14(19)15-11(7-20-4)9(2)3/h9-12H,5-8H2,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 4-[ethyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]oxolane-3-carboxylic acid?
4-[ethyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]oxolane-3-carboxylic acid has a molecular weight of 302.37 g/mol, XLogP of 0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66246734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).