(2R)-2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-4-methylpentanoic acid

C11H17NO5 — CID 28788931

IUPAC(2R)-2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)C1=COCCO1)C(=O)O
InChIInChI=1S/C11H17NO5/c1-7(2)5-8(11(14)15)12-10(13)9-6-16-3-4-17-9/h6-8H,3-5H2,1-2H3,(H,12,13)(H,14,15)/t8-/m1/s1
InChIKeyAIWGFFGWTZCFIY-MRVPVSSYSA-N
MW243.26 g/mol
LogP0.49
Rot. Bonds5

About (2R)-2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-4-methylpentanoic acid

(2R)-2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-4-methylpentanoic acid (PubChem CID 28788931) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is (2R)-2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-4-methylpentanoic acid
PubChem CID28788931
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name(2R)-2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)C1=COCCO1)C(=O)O
InChIInChI=1S/C11H17NO5/c1-7(2)5-8(11(14)15)12-10(13)9-6-16-3-4-17-9/h6-8H,3-5H2,1-2H3,(H,12,13)(H,14,15)/t8-/m1/s1
InChIKeyAIWGFFGWTZCFIY-MRVPVSSYSA-N
XLogP0.49
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-4-methylpentanoic 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

(2R)-4-methyl-2-[(2-propan-2-yloxyacetyl)amino]pentanoic acid
CID 59096137
2-Oxopropyl 4-methyl-2-(prop-2-enoylamino)pentanoate
CID 88894718
2-[(2S)-2-(2-hydroxypropanoylamino)-4-methylpentanoyl]oxypropanoic acid
CID 142455224
2-(2-Acetamido-4-methylpentanoyl)oxypropanoic acid
CID 167189531
(2S)-2-[[2-(2-hydroxypropoxy)acetyl]amino]-4-methylpentanoic acid
CID 175817089
[2-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 9341376
[2-[[(2R)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 9341380
[2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 9341404
[2-[[(2S,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 9341408
[2-[[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 9341413
[2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 9341417
2-[(2S)-2-acetamido-4-methylpentanoyl]oxyacetic acid
CID 12134473

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-4-methylpentanoic acid?
The IUPAC name of (2R)-2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-4-methylpentanoic acid (CID 28788931) is (2R)-2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-4-methylpentanoic acid is CC(C)C[C@@H](NC(=O)C1=COCCO1)C(=O)O.
What is the InChIKey of (2R)-2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-4-methylpentanoic acid?
The InChIKey is AIWGFFGWTZCFIY-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17NO5/c1-7(2)5-8(11(14)15)12-10(13)9-6-16-3-4-17-9/h6-8H,3-5H2,1-2H3,(H,12,13)(H,14,15)/t8-/m1/s1.
What are the key properties of (2R)-2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-4-methylpentanoic acid?
(2R)-2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-4-methylpentanoic acid has a molecular weight of 243.26 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dihydro-1,4-dioxine-5-carbonylamino)-4-methylpentanoic acid is sourced from PubChem (CID 28788931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).