(2S)-4-methyl-2-(oxan-4-ylamino)pentanoic acid

C11H21NO3 — CID 15458709

IUPAC(2S)-4-methyl-2-(oxan-4-ylamino)pentanoic acid
SMILESCC(C)C[C@H](NC1CCOCC1)C(=O)O
InChIInChI=1S/C11H21NO3/c1-8(2)7-10(11(13)14)12-9-3-5-15-6-4-9/h8-10,12H,3-7H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyJZEDRBLVXAYPGH-JTQLQIEISA-N
MW215.29 g/mol
LogP1.25
Rot. Bonds5

About (2S)-4-methyl-2-(oxan-4-ylamino)pentanoic acid

(2S)-4-methyl-2-(oxan-4-ylamino)pentanoic acid (PubChem CID 15458709) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is (2S)-4-methyl-2-(oxan-4-ylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-(oxan-4-ylamino)pentanoic acid
PubChem CID15458709
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name(2S)-4-methyl-2-(oxan-4-ylamino)pentanoic acid
SMILESCC(C)C[C@H](NC1CCOCC1)C(=O)O
InChIInChI=1S/C11H21NO3/c1-8(2)7-10(11(13)14)12-9-3-5-15-6-4-9/h8-10,12H,3-7H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyJZEDRBLVXAYPGH-JTQLQIEISA-N
XLogP1.25
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-4-methyl-2-(oxan-4-ylamino)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-(oxan-4-ylamino)pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-(oxan-4-ylamino)pentanoic acid (CID 15458709) is (2S)-4-methyl-2-(oxan-4-ylamino)pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-(oxan-4-ylamino)pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-(oxan-4-ylamino)pentanoic acid is CC(C)C[C@H](NC1CCOCC1)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-(oxan-4-ylamino)pentanoic acid?
The InChIKey is JZEDRBLVXAYPGH-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21NO3/c1-8(2)7-10(11(13)14)12-9-3-5-15-6-4-9/h8-10,12H,3-7H2,1-2H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-4-methyl-2-(oxan-4-ylamino)pentanoic acid?
(2S)-4-methyl-2-(oxan-4-ylamino)pentanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-(oxan-4-ylamino)pentanoic acid is sourced from PubChem (CID 15458709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).