oxolan-3-yl 2-amino-4-methylpentanoate

C10H19NO3 — CID 63559458

IUPACoxolan-3-yl 2-amino-4-methylpentanoate
SMILESCC(C)CC(N)C(=O)OC1CCOC1
InChIInChI=1S/C10H19NO3/c1-7(2)5-9(11)10(12)14-8-3-4-13-6-8/h7-9H,3-6,11H2,1-2H3
InChIKeyACWFWXRXCKKCNK-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.69
Rot. Bonds4

About oxolan-3-yl 2-amino-4-methylpentanoate

oxolan-3-yl 2-amino-4-methylpentanoate (PubChem CID 63559458) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is oxolan-3-yl 2-amino-4-methylpentanoate.

Molecular Properties

Compound Nameoxolan-3-yl 2-amino-4-methylpentanoate
PubChem CID63559458
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameoxolan-3-yl 2-amino-4-methylpentanoate
SMILESCC(C)CC(N)C(=O)OC1CCOC1
InChIInChI=1S/C10H19NO3/c1-7(2)5-9(11)10(12)14-8-3-4-13-6-8/h7-9H,3-6,11H2,1-2H3
InChIKeyACWFWXRXCKKCNK-UHFFFAOYSA-N
XLogP0.69
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze oxolan-3-yl 2-amino-4-methylpentanoate 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

oxetan-3-yl (2S)-2-amino-4-methylpentanoate
CID 102606734
oxolan-3-yl (2R)-2-amino-3-hydroxypropanoate
CID 80749674
[(3S)-oxolan-3-yl] (2S)-2-bromopropanoate
CID 11470107
cycloheptyl (2R)-2-amino-4-methylpentanoate
CID 78976122
oxolan-3-yl (2R)-2-amino-3,3-dimethylbutanoate
CID 103927419
(4-methylcyclohexyl) 2-amino-4-methylpentanoate
CID 61279653
oxolan-3-yl 2-amino-3-hydroxy-3-methylbutanoate
CID 122539257
[(3S)-oxolan-3-yl] 2-(phosphanylamino)propanoate
CID 175404027
oxan-4-ylmethyl (2R)-2-amino-4-methylpentanoate
CID 78989415
oxolan-3-yl 5-amino-2-methylpentanoate
CID 104686034
piperidin-4-yl (2S)-2-amino-4-methylpentanoate;dihydrochloride
CID 173188799
oxolan-3-yl 4-amino-3-methylbutanoate
CID 81072972

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl 2-amino-4-methylpentanoate?
The IUPAC name of oxolan-3-yl 2-amino-4-methylpentanoate (CID 63559458) is oxolan-3-yl 2-amino-4-methylpentanoate.
What is the SMILES notation for oxolan-3-yl 2-amino-4-methylpentanoate?
The canonical SMILES for oxolan-3-yl 2-amino-4-methylpentanoate is CC(C)CC(N)C(=O)OC1CCOC1.
What is the InChIKey of oxolan-3-yl 2-amino-4-methylpentanoate?
The InChIKey is ACWFWXRXCKKCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7(2)5-9(11)10(12)14-8-3-4-13-6-8/h7-9H,3-6,11H2,1-2H3.
What are the key properties of oxolan-3-yl 2-amino-4-methylpentanoate?
oxolan-3-yl 2-amino-4-methylpentanoate has a molecular weight of 201.27 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl 2-amino-4-methylpentanoate is sourced from PubChem (CID 63559458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).