3-[3-(methylamino)propylcarbamoylamino]oxolane-3-carboxylic acid

C10H19N3O4 — CID 64893261

IUPAC3-[3-(methylamino)propylcarbamoylamino]oxolane-3-carboxylic acid
SMILESCNCCCNC(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C10H19N3O4/c1-11-4-2-5-12-9(16)13-10(8(14)15)3-6-17-7-10/h11H,2-7H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyZXDSHXGRZMHQMA-UHFFFAOYSA-N
MW245.28 g/mol
LogP-0.86
Rot. Bonds6

About 3-[3-(methylamino)propylcarbamoylamino]oxolane-3-carboxylic acid

3-[3-(methylamino)propylcarbamoylamino]oxolane-3-carboxylic acid (PubChem CID 64893261) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-[3-(methylamino)propylcarbamoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[3-(methylamino)propylcarbamoylamino]oxolane-3-carboxylic acid
PubChem CID64893261
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name3-[3-(methylamino)propylcarbamoylamino]oxolane-3-carboxylic acid
SMILESCNCCCNC(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C10H19N3O4/c1-11-4-2-5-12-9(16)13-10(8(14)15)3-6-17-7-10/h11H,2-7H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyZXDSHXGRZMHQMA-UHFFFAOYSA-N
XLogP-0.86
TPSA99.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-0.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[3-(methylamino)propylcarbamoylamino]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

3-[3-(ethylamino)propylcarbamoylamino]oxolane-3-carboxylic acid
CID 64893471
3-(3-methylsulfanylpropylcarbamoylamino)oxolane-3-carboxylic acid
CID 64894112
3-[4-(dimethylamino)butylcarbamoylamino]oxolane-3-carboxylic acid
CID 64892666
3-(3-imidazol-1-ylpropylcarbamoylamino)oxolane-3-carboxylic acid
CID 64889268
(3R)-3-(methylamino)oxolane-3-carboxylic acid
CID 95380076
3-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]oxolane-3-carboxylic acid
CID 64894113
4-(3-propoxypropylcarbamoylamino)oxane-4-carboxylic acid
CID 82943940
3-(2-but-3-enoxyethylcarbamoylamino)oxolane-3-carboxylic acid
CID 114184674
3-[2-(1-methylimidazol-2-yl)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 64892261
4-(5,5,5-trifluoropentylcarbamoylamino)oxane-4-carboxylic acid
CID 115521401
4-[[2-(methylamino)-2-oxoethyl]carbamoylamino]oxane-4-carboxylic acid
CID 113280419
3-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]oxolane-3-carboxylic acid
CID 79350166

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methylamino)propylcarbamoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[3-(methylamino)propylcarbamoylamino]oxolane-3-carboxylic acid (CID 64893261) is 3-[3-(methylamino)propylcarbamoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[3-(methylamino)propylcarbamoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[3-(methylamino)propylcarbamoylamino]oxolane-3-carboxylic acid is CNCCCNC(=O)NC1(C(=O)O)CCOC1.
What is the InChIKey of 3-[3-(methylamino)propylcarbamoylamino]oxolane-3-carboxylic acid?
The InChIKey is ZXDSHXGRZMHQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-11-4-2-5-12-9(16)13-10(8(14)15)3-6-17-7-10/h11H,2-7H2,1H3,(H,14,15)(H2,12,13,16).
What are the key properties of 3-[3-(methylamino)propylcarbamoylamino]oxolane-3-carboxylic acid?
3-[3-(methylamino)propylcarbamoylamino]oxolane-3-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of -0.86, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methylamino)propylcarbamoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64893261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).