4-(oxan-2-ylmethylamino)butanoic acid

C10H19NO3 — CID 43473562

IUPAC4-(oxan-2-ylmethylamino)butanoic acid
SMILESO=C(O)CCCNCC1CCCCO1
InChIInChI=1S/C10H19NO3/c12-10(13)5-3-6-11-8-9-4-1-2-7-14-9/h9,11H,1-8H2,(H,12,13)
InChIKeyUNVPOTWOEIBSGB-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.01
Rot. Bonds6

About 4-(oxan-2-ylmethylamino)butanoic acid

4-(oxan-2-ylmethylamino)butanoic acid (PubChem CID 43473562) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-(oxan-2-ylmethylamino)butanoic acid.

Molecular Properties

Compound Name4-(oxan-2-ylmethylamino)butanoic acid
PubChem CID43473562
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name4-(oxan-2-ylmethylamino)butanoic acid
SMILESO=C(O)CCCNCC1CCCCO1
InChIInChI=1S/C10H19NO3/c12-10(13)5-3-6-11-8-9-4-1-2-7-14-9/h9,11H,1-8H2,(H,12,13)
InChIKeyUNVPOTWOEIBSGB-UHFFFAOYSA-N
XLogP1.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-6-(oxan-2-ylmethylamino)hexanoic acid
CID 65289755
6-(oxan-2-ylmethylamino)-6-oxohexanoic acid
CID 55014045
4-(oxolan-2-ylmethylcarbamoylamino)butanoic acid
CID 61191606
6-(oxan-2-ylmethylcarbamoylamino)hexanoic acid
CID 55013881
4-[3-(oxan-2-yl)propanoylamino]butanoic acid
CID 63953918
4-bromo-N-(oxan-2-ylmethyl)butan-1-amine
CID 106844706
4-(cyclohexylmethylamino)butanoic acid
CID 24705289
5-(oxan-2-ylmethylcarbamoylamino)-5-oxopentanoic acid
CID 55013418
N-ethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 62834649
2-(oxan-2-ylmethylamino)ethylurea
CID 83120835
6-oxo-6-(oxolan-2-ylmethylamino)hexanoic acid
CID 43529693
4-(cyclopropylmethylamino)butanoic acid
CID 43377785

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-2-ylmethylamino)butanoic acid?
The IUPAC name of 4-(oxan-2-ylmethylamino)butanoic acid (CID 43473562) is 4-(oxan-2-ylmethylamino)butanoic acid.
What is the SMILES notation for 4-(oxan-2-ylmethylamino)butanoic acid?
The canonical SMILES for 4-(oxan-2-ylmethylamino)butanoic acid is O=C(O)CCCNCC1CCCCO1.
What is the InChIKey of 4-(oxan-2-ylmethylamino)butanoic acid?
The InChIKey is UNVPOTWOEIBSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c12-10(13)5-3-6-11-8-9-4-1-2-7-14-9/h9,11H,1-8H2,(H,12,13).
What are the key properties of 4-(oxan-2-ylmethylamino)butanoic acid?
4-(oxan-2-ylmethylamino)butanoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-2-ylmethylamino)butanoic acid is sourced from PubChem (CID 43473562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).