4-[1-(diethylamino)propan-2-ylcarbamoyl-methylamino]oxolane-3-carboxylic acid

C14H27N3O4 — CID 66267510

IUPAC4-[1-(diethylamino)propan-2-ylcarbamoyl-methylamino]oxolane-3-carboxylic acid
SMILESCCN(CC)CC(C)NC(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C14H27N3O4/c1-5-17(6-2)7-10(3)15-14(20)16(4)12-9-21-8-11(12)13(18)19/h10-12H,5-9H2,1-4H3,(H,15,20)(H,18,19)
InChIKeyMFLGFIKNJSDXOR-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.46
Rot. Bonds7

About 4-[1-(diethylamino)propan-2-ylcarbamoyl-methylamino]oxolane-3-carboxylic acid

4-[1-(diethylamino)propan-2-ylcarbamoyl-methylamino]oxolane-3-carboxylic acid (PubChem CID 66267510) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-[1-(diethylamino)propan-2-ylcarbamoyl-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[1-(diethylamino)propan-2-ylcarbamoyl-methylamino]oxolane-3-carboxylic acid
PubChem CID66267510
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC Name4-[1-(diethylamino)propan-2-ylcarbamoyl-methylamino]oxolane-3-carboxylic acid
SMILESCCN(CC)CC(C)NC(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C14H27N3O4/c1-5-17(6-2)7-10(3)15-14(20)16(4)12-9-21-8-11(12)13(18)19/h10-12H,5-9H2,1-4H3,(H,15,20)(H,18,19)
InChIKeyMFLGFIKNJSDXOR-UHFFFAOYSA-N
XLogP0.46
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl(pent-4-yn-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 113478027
4-[methyl(3-methylpentan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66267696
4-[methyl(3-methylbutan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66267863
4-[methyl(1-pyrrolidin-1-ylpropan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66265729
4-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66265939
4-[methyl-[2-(propan-2-ylamino)acetyl]amino]oxolane-3-carboxylic acid
CID 66237430
4-[2,2-dimethylpropylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66266712
4-amino-N-[1-(diethylamino)propan-2-yl]oxolane-3-carboxamide
CID 66237288
1-(2-tert-butylcyclopentyl)-3-[1-(diethylamino)propan-2-yl]-1-methylurea
CID 166297621
4-[cyclopentylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66265694
4-[cyclobutylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66266130
4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl-ethylamino]oxolane-3-carboxylic acid
CID 66246519

Frequently Asked Questions

What is the IUPAC name of 4-[1-(diethylamino)propan-2-ylcarbamoyl-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[1-(diethylamino)propan-2-ylcarbamoyl-methylamino]oxolane-3-carboxylic acid (CID 66267510) is 4-[1-(diethylamino)propan-2-ylcarbamoyl-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[1-(diethylamino)propan-2-ylcarbamoyl-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[1-(diethylamino)propan-2-ylcarbamoyl-methylamino]oxolane-3-carboxylic acid is CCN(CC)CC(C)NC(=O)N(C)C1COCC1C(=O)O.
What is the InChIKey of 4-[1-(diethylamino)propan-2-ylcarbamoyl-methylamino]oxolane-3-carboxylic acid?
The InChIKey is MFLGFIKNJSDXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4/c1-5-17(6-2)7-10(3)15-14(20)16(4)12-9-21-8-11(12)13(18)19/h10-12H,5-9H2,1-4H3,(H,15,20)(H,18,19).
What are the key properties of 4-[1-(diethylamino)propan-2-ylcarbamoyl-methylamino]oxolane-3-carboxylic acid?
4-[1-(diethylamino)propan-2-ylcarbamoyl-methylamino]oxolane-3-carboxylic acid has a molecular weight of 301.39 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(diethylamino)propan-2-ylcarbamoyl-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66267510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).