6-[[4-(propylamino)oxolane-3-carbonyl]amino]hexanoic acid

C14H26N2O4 — CID 66256152

IUPAC6-[[4-(propylamino)oxolane-3-carbonyl]amino]hexanoic acid
SMILESCCCNC1COCC1C(=O)NCCCCCC(=O)O
InChIInChI=1S/C14H26N2O4/c1-2-7-15-12-10-20-9-11(12)14(19)16-8-5-3-4-6-13(17)18/h11-12,15H,2-10H2,1H3,(H,16,19)(H,17,18)
InChIKeyVJSDIOROWATJGS-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.76
Rot. Bonds10

About 6-[[4-(propylamino)oxolane-3-carbonyl]amino]hexanoic acid

6-[[4-(propylamino)oxolane-3-carbonyl]amino]hexanoic acid (PubChem CID 66256152) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 6-[[4-(propylamino)oxolane-3-carbonyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[4-(propylamino)oxolane-3-carbonyl]amino]hexanoic acid
PubChem CID66256152
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name6-[[4-(propylamino)oxolane-3-carbonyl]amino]hexanoic acid
SMILESCCCNC1COCC1C(=O)NCCCCCC(=O)O
InChIInChI=1S/C14H26N2O4/c1-2-7-15-12-10-20-9-11(12)14(19)16-8-5-3-4-6-13(17)18/h11-12,15H,2-10H2,1H3,(H,16,19)(H,17,18)
InChIKeyVJSDIOROWATJGS-UHFFFAOYSA-N
XLogP0.76
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[[4-(propylamino)oxolane-3-carbonyl]amino]hexanoic 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

7-[[4-(ethylamino)oxolane-3-carbonyl]amino]heptanoic acid
CID 66257729
N-(4-methylsulfanylbutyl)-4-(propylamino)oxolane-3-carboxamide
CID 113487594
N-(3-methylsulfonylpropyl)-4-(propylamino)oxolane-3-carboxamide
CID 66256718
N-[2-(carbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 83110182
N-(2-cyclopropylethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66256756
N-(2-butoxyethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66255585
7-[(4-aminooxolane-3-carbonyl)amino]heptanoic acid
CID 66235647
N-hexyl-4-(methylamino)oxolane-3-carboxamide
CID 66266175
1-[4-(propylamino)oxolan-3-yl]pentan-1-one
CID 116587714
N-[2-(dimethylcarbamoylamino)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 83110481
4-(propylamino)-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide
CID 66257134
N-(2,2-difluoro-3-hydroxypropyl)-4-(propylamino)oxolane-3-carboxamide
CID 114154209

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(propylamino)oxolane-3-carbonyl]amino]hexanoic acid?
The IUPAC name of 6-[[4-(propylamino)oxolane-3-carbonyl]amino]hexanoic acid (CID 66256152) is 6-[[4-(propylamino)oxolane-3-carbonyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[4-(propylamino)oxolane-3-carbonyl]amino]hexanoic acid?
The canonical SMILES for 6-[[4-(propylamino)oxolane-3-carbonyl]amino]hexanoic acid is CCCNC1COCC1C(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-[[4-(propylamino)oxolane-3-carbonyl]amino]hexanoic acid?
The InChIKey is VJSDIOROWATJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-2-7-15-12-10-20-9-11(12)14(19)16-8-5-3-4-6-13(17)18/h11-12,15H,2-10H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 6-[[4-(propylamino)oxolane-3-carbonyl]amino]hexanoic acid?
6-[[4-(propylamino)oxolane-3-carbonyl]amino]hexanoic acid has a molecular weight of 286.37 g/mol, XLogP of 0.76, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(propylamino)oxolane-3-carbonyl]amino]hexanoic acid is sourced from PubChem (CID 66256152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).