4-methyl-2-[1-(oxan-2-yloxyamino)ethyl]pentanoic acid

C13H25NO4 — CID 21256832

IUPAC4-methyl-2-[1-(oxan-2-yloxyamino)ethyl]pentanoic acid
SMILESCC(C)CC(C(=O)O)C(C)NOC1CCCCO1
InChIInChI=1S/C13H25NO4/c1-9(2)8-11(13(15)16)10(3)14-18-12-6-4-5-7-17-12/h9-12,14H,4-8H2,1-3H3,(H,15,16)
InChIKeyDSRPYBZEWRJPMO-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.17
Rot. Bonds7

About 4-methyl-2-[1-(oxan-2-yloxyamino)ethyl]pentanoic acid

4-methyl-2-[1-(oxan-2-yloxyamino)ethyl]pentanoic acid (PubChem CID 21256832) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-methyl-2-[1-(oxan-2-yloxyamino)ethyl]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[1-(oxan-2-yloxyamino)ethyl]pentanoic acid
PubChem CID21256832
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name4-methyl-2-[1-(oxan-2-yloxyamino)ethyl]pentanoic acid
SMILESCC(C)CC(C(=O)O)C(C)NOC1CCCCO1
InChIInChI=1S/C13H25NO4/c1-9(2)8-11(13(15)16)10(3)14-18-12-6-4-5-7-17-12/h9-12,14H,4-8H2,1-3H3,(H,15,16)
InChIKeyDSRPYBZEWRJPMO-UHFFFAOYSA-N
XLogP2.17
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6,6,6-trifluoro-2-(2-methylpropyl)-3-(oxan-2-yloxyamino)hexanoic acid
CID 54153688
2-(oxan-2-yloxy)propanoic acid
CID 542280
methyl (2R)-2-methyl-3-[(2R)-oxan-2-yl]oxypropanoate
CID 92975409
methyl (2S)-2-methyl-3-(oxan-2-yloxy)propanoate
CID 11195022
4-methyl-2-(oxan-2-yloxyamino)-2-(1-oxopropan-2-yl)pentanoic acid
CID 54130755
(2S,3R)-3-(hydrazinecarbonyl)-5-methyl-N-(oxan-2-yloxy)-2-(3-phenylprop-2-enyl)hexanamide
CID 154163621
2-[2-(oxan-2-yloxy)ethylsulfanyl]propanoic acid
CID 61369660
3-(oxan-2-yloxy)butanoic acid
CID 14279636
(2S,3R)-5-methyl-N-(oxan-2-yloxy)-2-(3-phenylprop-2-enyl)-3-[(propan-2-ylamino)carbamoyl]hexanamide
CID 150531433
(2S,3R)-3-[[[(2R)-2-aminopropanoyl]amino]carbamoyl]-5-methyl-N-(oxan-2-yloxy)-2-[(E)-3-phenylprop-2-enyl]hexanamide
CID 139917369
(3R)-1-chloro-3-(oxan-2-yloxy)butan-2-one
CID 11506704
2-amino-6-(oxan-2-yloxy)hexanoic acid
CID 146471509

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-(oxan-2-yloxyamino)ethyl]pentanoic acid?
The IUPAC name of 4-methyl-2-[1-(oxan-2-yloxyamino)ethyl]pentanoic acid (CID 21256832) is 4-methyl-2-[1-(oxan-2-yloxyamino)ethyl]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[1-(oxan-2-yloxyamino)ethyl]pentanoic acid?
The canonical SMILES for 4-methyl-2-[1-(oxan-2-yloxyamino)ethyl]pentanoic acid is CC(C)CC(C(=O)O)C(C)NOC1CCCCO1.
What is the InChIKey of 4-methyl-2-[1-(oxan-2-yloxyamino)ethyl]pentanoic acid?
The InChIKey is DSRPYBZEWRJPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-9(2)8-11(13(15)16)10(3)14-18-12-6-4-5-7-17-12/h9-12,14H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 4-methyl-2-[1-(oxan-2-yloxyamino)ethyl]pentanoic acid?
4-methyl-2-[1-(oxan-2-yloxyamino)ethyl]pentanoic acid has a molecular weight of 259.35 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-(oxan-2-yloxyamino)ethyl]pentanoic acid is sourced from PubChem (CID 21256832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).