4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl-ethylamino]oxolane-3-carboxylic acid

C13H23N3O5 — CID 66246519

IUPAC4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl-ethylamino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)NC(C)C(=O)N(C)C)C1COCC1C(=O)O
InChIInChI=1S/C13H23N3O5/c1-5-16(10-7-21-6-9(10)12(18)19)13(20)14-8(2)11(17)15(3)4/h8-10H,5-7H2,1-4H3,(H,14,20)(H,18,19)
InChIKeyWCDPLEQFCBXARM-UHFFFAOYSA-N
MW301.34 g/mol
LogP-0.41
Rot. Bonds5

About 4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl-ethylamino]oxolane-3-carboxylic acid

4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl-ethylamino]oxolane-3-carboxylic acid (PubChem CID 66246519) has the molecular formula C13H23N3O5 and a molecular weight of 301.34 g/mol. Its IUPAC name is 4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl-ethylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl-ethylamino]oxolane-3-carboxylic acid
PubChem CID66246519
Molecular FormulaC13H23N3O5
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC Name4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl-ethylamino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)NC(C)C(=O)N(C)C)C1COCC1C(=O)O
InChIInChI=1S/C13H23N3O5/c1-5-16(10-7-21-6-9(10)12(18)19)13(20)14-8(2)11(17)15(3)4/h8-10H,5-7H2,1-4H3,(H,14,20)(H,18,19)
InChIKeyWCDPLEQFCBXARM-UHFFFAOYSA-N
XLogP-0.41
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl-ethylamino]oxolane-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[ethyl(2-methoxypropylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 102699849
4-[ethyl(2-methylpentanoyl)amino]oxolane-3-carboxylic acid
CID 66245844
4-[ethyl-[(3-methylcyclohexyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66245153
4-[2-acetamidopropanoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66238166
4-[ethyl(oxan-4-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66246319
4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]oxolane-3-carboxylic acid
CID 66239563
4-[ethyl(2-methylpropoxycarbonyl)amino]oxolane-3-carboxylic acid
CID 66246438
4-[ethyl-[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]oxolane-3-carboxylic acid
CID 66246896
4-[ethyl-[(3-methoxy-3-oxopropyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66245936
4-[1-(diethylamino)propan-2-ylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 66267510

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl-ethylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl-ethylamino]oxolane-3-carboxylic acid (CID 66246519) is 4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl-ethylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl-ethylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl-ethylamino]oxolane-3-carboxylic acid is CCN(C(=O)NC(C)C(=O)N(C)C)C1COCC1C(=O)O.
What is the InChIKey of 4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl-ethylamino]oxolane-3-carboxylic acid?
The InChIKey is WCDPLEQFCBXARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O5/c1-5-16(10-7-21-6-9(10)12(18)19)13(20)14-8(2)11(17)15(3)4/h8-10H,5-7H2,1-4H3,(H,14,20)(H,18,19).
What are the key properties of 4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl-ethylamino]oxolane-3-carboxylic acid?
4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl-ethylamino]oxolane-3-carboxylic acid has a molecular weight of 301.34 g/mol, XLogP of -0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl-ethylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66246519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).