4-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]oxane-4-carboxylic acid

C13H24N2O4 — CID 104903845

IUPAC4-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]oxane-4-carboxylic acid
SMILESCC(C)C[C@@H](N)C(=O)NCC1(C(=O)O)CCOCC1
InChIInChI=1S/C13H24N2O4/c1-9(2)7-10(14)11(16)15-8-13(12(17)18)3-5-19-6-4-13/h9-10H,3-8,14H2,1-2H3,(H,15,16)(H,17,18)/t10-/m1/s1
InChIKeyMVLQXBPICOPABW-SNVBAGLBSA-N
MW272.34 g/mol
LogP0.36
Rot. Bonds6

About 4-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]oxane-4-carboxylic acid

4-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]oxane-4-carboxylic acid (PubChem CID 104903845) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 4-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]oxane-4-carboxylic acid
PubChem CID104903845
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name4-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]oxane-4-carboxylic acid
SMILESCC(C)C[C@@H](N)C(=O)NCC1(C(=O)O)CCOCC1
InChIInChI=1S/C13H24N2O4/c1-9(2)7-10(14)11(16)15-8-13(12(17)18)3-5-19-6-4-13/h9-10H,3-8,14H2,1-2H3,(H,15,16)(H,17,18)/t10-/m1/s1
InChIKeyMVLQXBPICOPABW-SNVBAGLBSA-N
XLogP0.36
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]oxane-4-carboxylic acid with MolForge

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Related Compounds

1-[[(2-amino-4-methylpentanoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450693
1-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 104903843
4-[[(2-amino-3-methylbutanoyl)amino]methyl]oxane-4-carboxylic acid
CID 113310182
(2S)-2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylpentanamide
CID 106101485
1-[(2-aminopentanoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115450692
4-[(4-methylpentylcarbamoylamino)methyl]oxane-4-carboxylic acid
CID 115440519
3-[(2-methylpropanoylamino)methyl]oxolane-3-carboxylic acid
CID 165463327
4-[(5-methylhexylcarbamoylamino)methyl]oxane-4-carboxylic acid
CID 115440627
4-[(2-butylsulfanylpropanoylamino)methyl]oxane-4-carboxylic acid
CID 120542809
(2S)-2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylpentanamide
CID 113450272
1-[[[2-(aminomethyl)-4-methylpentanoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113312287
1-[[[(2R)-2-aminopentanoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 107570322

Frequently Asked Questions

What is the IUPAC name of 4-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]oxane-4-carboxylic acid (CID 104903845) is 4-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]oxane-4-carboxylic acid is CC(C)C[C@@H](N)C(=O)NCC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]oxane-4-carboxylic acid?
The InChIKey is MVLQXBPICOPABW-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-9(2)7-10(14)11(16)15-8-13(12(17)18)3-5-19-6-4-13/h9-10H,3-8,14H2,1-2H3,(H,15,16)(H,17,18)/t10-/m1/s1.
What are the key properties of 4-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]oxane-4-carboxylic acid?
4-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]oxane-4-carboxylic acid has a molecular weight of 272.34 g/mol, XLogP of 0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 104903845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).