4-methyl-2-(oxan-2-yloxyamino)-2-(1-oxopropan-2-yl)pentanoic acid

C14H25NO5 — CID 54130755

IUPAC4-methyl-2-(oxan-2-yloxyamino)-2-(1-oxopropan-2-yl)pentanoic acid
SMILESCC(C)CC(NOC1CCCCO1)(C(=O)O)C(C)C=O
InChIInChI=1S/C14H25NO5/c1-10(2)8-14(13(17)18,11(3)9-16)15-20-12-6-4-5-7-19-12/h9-12,15H,4-8H2,1-3H3,(H,17,18)
InChIKeyNUENSJBGMKJIIF-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.74
Rot. Bonds8

About 4-methyl-2-(oxan-2-yloxyamino)-2-(1-oxopropan-2-yl)pentanoic acid

4-methyl-2-(oxan-2-yloxyamino)-2-(1-oxopropan-2-yl)pentanoic acid (PubChem CID 54130755) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-methyl-2-(oxan-2-yloxyamino)-2-(1-oxopropan-2-yl)pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-(oxan-2-yloxyamino)-2-(1-oxopropan-2-yl)pentanoic acid
PubChem CID54130755
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Name4-methyl-2-(oxan-2-yloxyamino)-2-(1-oxopropan-2-yl)pentanoic acid
SMILESCC(C)CC(NOC1CCCCO1)(C(=O)O)C(C)C=O
InChIInChI=1S/C14H25NO5/c1-10(2)8-14(13(17)18,11(3)9-16)15-20-12-6-4-5-7-19-12/h9-12,15H,4-8H2,1-3H3,(H,17,18)
InChIKeyNUENSJBGMKJIIF-UHFFFAOYSA-N
XLogP1.74
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-[1-(oxan-2-yloxyamino)ethyl]pentanoic acid
CID 21256832
2,4-dimethyl-2-(oxan-2-ylmethylamino)pentanoic acid
CID 114998033
methyl (2R)-2-methyl-3-[(2R)-oxan-2-yl]oxypropanoate
CID 92975409
methyl (2S)-2-methyl-3-(oxan-2-yloxy)propanoate
CID 11195022
(2S)-2-(2-methylpropyl)-3-(oxan-2-yloxy)-5-oxopyrrolidine-1-carboxylic acid
CID 67946379
2-(oxan-2-yloxy)propanoic acid
CID 542280
3-(oxan-2-yloxy)butanoic acid
CID 14279636
methyl (2S)-2-amino-3-(oxan-2-yloxy)propanoate;hydrochloride
CID 91978788
(E)-5-(oxan-2-yloxy)-4-oxohex-2-enoic acid
CID 10823217
6,6,6-trifluoro-2-(2-methylpropyl)-3-(oxan-2-yloxyamino)hexanoic acid
CID 54153688
(E)-7-(oxan-2-yloxy)-4-oxooct-2-enoic acid
CID 10634810
3-methyl-4-(oxan-2-yloxy)butanal
CID 58732523

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(oxan-2-yloxyamino)-2-(1-oxopropan-2-yl)pentanoic acid?
The IUPAC name of 4-methyl-2-(oxan-2-yloxyamino)-2-(1-oxopropan-2-yl)pentanoic acid (CID 54130755) is 4-methyl-2-(oxan-2-yloxyamino)-2-(1-oxopropan-2-yl)pentanoic acid.
What is the SMILES notation for 4-methyl-2-(oxan-2-yloxyamino)-2-(1-oxopropan-2-yl)pentanoic acid?
The canonical SMILES for 4-methyl-2-(oxan-2-yloxyamino)-2-(1-oxopropan-2-yl)pentanoic acid is CC(C)CC(NOC1CCCCO1)(C(=O)O)C(C)C=O.
What is the InChIKey of 4-methyl-2-(oxan-2-yloxyamino)-2-(1-oxopropan-2-yl)pentanoic acid?
The InChIKey is NUENSJBGMKJIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5/c1-10(2)8-14(13(17)18,11(3)9-16)15-20-12-6-4-5-7-19-12/h9-12,15H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 4-methyl-2-(oxan-2-yloxyamino)-2-(1-oxopropan-2-yl)pentanoic acid?
4-methyl-2-(oxan-2-yloxyamino)-2-(1-oxopropan-2-yl)pentanoic acid has a molecular weight of 287.36 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(oxan-2-yloxyamino)-2-(1-oxopropan-2-yl)pentanoic acid is sourced from PubChem (CID 54130755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).