methyl 6-(oxolane-2-carbonylamino)hexanoate

C12H21NO4 — CID 43404498

IUPACmethyl 6-(oxolane-2-carbonylamino)hexanoate
SMILESCOC(=O)CCCCCNC(=O)C1CCCO1
InChIInChI=1S/C12H21NO4/c1-16-11(14)7-3-2-4-8-13-12(15)10-6-5-9-17-10/h10H,2-9H2,1H3,(H,13,15)
InChIKeyNUVFPDCXKOGPGJ-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.01
Rot. Bonds7

About methyl 6-(oxolane-2-carbonylamino)hexanoate

methyl 6-(oxolane-2-carbonylamino)hexanoate (PubChem CID 43404498) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is methyl 6-(oxolane-2-carbonylamino)hexanoate.

Molecular Properties

Compound Namemethyl 6-(oxolane-2-carbonylamino)hexanoate
PubChem CID43404498
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Namemethyl 6-(oxolane-2-carbonylamino)hexanoate
SMILESCOC(=O)CCCCCNC(=O)C1CCCO1
InChIInChI=1S/C12H21NO4/c1-16-11(14)7-3-2-4-8-13-12(15)10-6-5-9-17-10/h10H,2-9H2,1H3,(H,13,15)
InChIKeyNUVFPDCXKOGPGJ-UHFFFAOYSA-N
XLogP1.01
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 6-(oxolane-2-carbonylamino)hexanoate 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

6-[[(2S)-oxolane-2-carbonyl]amino]hexanoic acid
CID 30112632
ethyl 4-[[(2S)-oxolane-2-carbonyl]amino]butanoate
CID 103872319
(2R)-N-pentyloxolane-2-carboxamide
CID 146504537
N-(4-bromobutyl)oxane-2-carboxamide
CID 106845688
N-(2-methoxyethyl)oxolane-2-carboxamide
CID 4190232
methyl 6-(cyclohexanecarbonylamino)hexanoate
CID 43404565
methyl 6-(bicyclo[4.1.0]heptane-7-carbonylamino)hexanoate
CID 79173602
(2R)-N-(methoxymethyl)oxolane-2-carboxamide
CID 68732384
methyl 6-[3-(oxan-2-yl)propanoylamino]hexanoate
CID 63939050
N-[2-(2-methoxyethylamino)ethyl]oxolane-2-carboxamide
CID 82993664
ethyl 3-(oxane-2-carbonylamino)propanoate
CID 62213374
(2R)-N-(5-hydroxy-4-methylpentyl)oxolane-2-carboxamide
CID 103861771

Frequently Asked Questions

What is the IUPAC name of methyl 6-(oxolane-2-carbonylamino)hexanoate?
The IUPAC name of methyl 6-(oxolane-2-carbonylamino)hexanoate (CID 43404498) is methyl 6-(oxolane-2-carbonylamino)hexanoate.
What is the SMILES notation for methyl 6-(oxolane-2-carbonylamino)hexanoate?
The canonical SMILES for methyl 6-(oxolane-2-carbonylamino)hexanoate is COC(=O)CCCCCNC(=O)C1CCCO1.
What is the InChIKey of methyl 6-(oxolane-2-carbonylamino)hexanoate?
The InChIKey is NUVFPDCXKOGPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-16-11(14)7-3-2-4-8-13-12(15)10-6-5-9-17-10/h10H,2-9H2,1H3,(H,13,15).
What are the key properties of methyl 6-(oxolane-2-carbonylamino)hexanoate?
methyl 6-(oxolane-2-carbonylamino)hexanoate has a molecular weight of 243.30 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(oxolane-2-carbonylamino)hexanoate is sourced from PubChem (CID 43404498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).