oxan-4-ylmethyl (2R)-2-amino-4-methylpentanoate

C12H23NO3 — CID 78989415

IUPACoxan-4-ylmethyl (2R)-2-amino-4-methylpentanoate
SMILESCC(C)C[C@@H](N)C(=O)OCC1CCOCC1
InChIInChI=1S/C12H23NO3/c1-9(2)7-11(13)12(14)16-8-10-3-5-15-6-4-10/h9-11H,3-8,13H2,1-2H3/t11-/m1/s1
InChIKeyNMQOGDNRKXWDEK-LLVKDONJSA-N
MW229.32 g/mol
LogP1.33
Rot. Bonds5

About oxan-4-ylmethyl (2R)-2-amino-4-methylpentanoate

oxan-4-ylmethyl (2R)-2-amino-4-methylpentanoate (PubChem CID 78989415) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is oxan-4-ylmethyl (2R)-2-amino-4-methylpentanoate.

Molecular Properties

Compound Nameoxan-4-ylmethyl (2R)-2-amino-4-methylpentanoate
PubChem CID78989415
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nameoxan-4-ylmethyl (2R)-2-amino-4-methylpentanoate
SMILESCC(C)C[C@@H](N)C(=O)OCC1CCOCC1
InChIInChI=1S/C12H23NO3/c1-9(2)7-11(13)12(14)16-8-10-3-5-15-6-4-10/h9-11H,3-8,13H2,1-2H3/t11-/m1/s1
InChIKeyNMQOGDNRKXWDEK-LLVKDONJSA-N
XLogP1.33
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze oxan-4-ylmethyl (2R)-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

oxan-4-ylmethyl (2S)-2-amino-3-sulfanylpropanoate
CID 107774168
oxan-4-ylmethyl (2S)-2-amino-4-hydroxybutanoate
CID 107825386
oxan-4-ylmethyl 2-sulfanylpropanoate
CID 107018736
oxolan-3-yl 2-amino-4-methylpentanoate
CID 63559458
oxan-4-ylmethyl 6-amino-2-methylheptanoate
CID 65285134
2-amino-4-methyl-N-(oxan-4-yl)pentanamide
CID 43610149
oxan-4-ylmethyl 5-amino-2-methylpentanoate
CID 104686033
oxan-4-ylmethyl (2R)-2-amino-3-phenylpropanoate
CID 104902270
oxan-4-ylmethyl carbamate
CID 134587773
oxan-4-ylmethyl 3-amino-2-methoxypropanoate
CID 106109501
oxan-4-ylmethyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 104905857
2-amino-4-methyl-N-(oxolan-3-ylmethyl)pentanamide
CID 60921018

Frequently Asked Questions

What is the IUPAC name of oxan-4-ylmethyl (2R)-2-amino-4-methylpentanoate?
The IUPAC name of oxan-4-ylmethyl (2R)-2-amino-4-methylpentanoate (CID 78989415) is oxan-4-ylmethyl (2R)-2-amino-4-methylpentanoate.
What is the SMILES notation for oxan-4-ylmethyl (2R)-2-amino-4-methylpentanoate?
The canonical SMILES for oxan-4-ylmethyl (2R)-2-amino-4-methylpentanoate is CC(C)C[C@@H](N)C(=O)OCC1CCOCC1.
What is the InChIKey of oxan-4-ylmethyl (2R)-2-amino-4-methylpentanoate?
The InChIKey is NMQOGDNRKXWDEK-LLVKDONJSA-N. The full InChI is InChI=1S/C12H23NO3/c1-9(2)7-11(13)12(14)16-8-10-3-5-15-6-4-10/h9-11H,3-8,13H2,1-2H3/t11-/m1/s1.
What are the key properties of oxan-4-ylmethyl (2R)-2-amino-4-methylpentanoate?
oxan-4-ylmethyl (2R)-2-amino-4-methylpentanoate has a molecular weight of 229.32 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-ylmethyl (2R)-2-amino-4-methylpentanoate is sourced from PubChem (CID 78989415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).