2-(aminooxymethyl)pentanoic acid

C6H13NO3 — CID 105429041

IUPAC2-(aminooxymethyl)pentanoic acid
SMILESCCCC(CON)C(=O)O
InChIInChI=1S/C6H13NO3/c1-2-3-5(4-10-7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)
InChIKeyALPWMEJKUJDVDU-UHFFFAOYSA-N
MW147.17 g/mol
LogP0.38
Rot. Bonds5

About 2-(aminooxymethyl)pentanoic acid

2-(aminooxymethyl)pentanoic acid (PubChem CID 105429041) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 2-(aminooxymethyl)pentanoic acid.

Molecular Properties

Compound Name2-(aminooxymethyl)pentanoic acid
PubChem CID105429041
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name2-(aminooxymethyl)pentanoic acid
SMILESCCCC(CON)C(=O)O
InChIInChI=1S/C6H13NO3/c1-2-3-5(4-10-7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)
InChIKeyALPWMEJKUJDVDU-UHFFFAOYSA-N
XLogP0.38
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethylpentanoic acid
CID 158993232
2-ethylpentanoic acid
CID 30020
disodium;hydride;hydron;bis(2-propylpentanoic acid)
CID 173312027
calcium;sodium;hydride;2-propylpentanoic acid
CID 174695828
(2S)-2-amino-3-(2-propylpentanoyloxy)propanoic acid
CID 58732233
formic acid;2-propylpentanoic acid
CID 87531584
(2S)-2-propylbutanedioic acid
CID 12648185
2-propylpentanoyl 2-propylpentanoate
CID 10923624
phosphane;2-propylhexanoic acid
CID 87429538
λ2-stannane;2-propylhexanoic acid
CID 174232814
(2S,4R)-4-carbamoyl-2-propylhexanoic acid
CID 59815875
2-amino-2-(hydroxymethyl)propane-1,3-diol;2-propylpentanoic acid
CID 15940218

Frequently Asked Questions

What is the IUPAC name of 2-(aminooxymethyl)pentanoic acid?
The IUPAC name of 2-(aminooxymethyl)pentanoic acid (CID 105429041) is 2-(aminooxymethyl)pentanoic acid.
What is the SMILES notation for 2-(aminooxymethyl)pentanoic acid?
The canonical SMILES for 2-(aminooxymethyl)pentanoic acid is CCCC(CON)C(=O)O.
What is the InChIKey of 2-(aminooxymethyl)pentanoic acid?
The InChIKey is ALPWMEJKUJDVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-2-3-5(4-10-7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9).
What are the key properties of 2-(aminooxymethyl)pentanoic acid?
2-(aminooxymethyl)pentanoic acid has a molecular weight of 147.17 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminooxymethyl)pentanoic acid is sourced from PubChem (CID 105429041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).