2-(5-aminopentoxy)butanoic acid

C9H19NO3 — CID 82352847

IUPAC2-(5-aminopentoxy)butanoic acid
SMILESCCC(OCCCCCN)C(=O)O
InChIInChI=1S/C9H19NO3/c1-2-8(9(11)12)13-7-5-3-4-6-10/h8H,2-7,10H2,1H3,(H,11,12)
InChIKeyPOAVIPQMHHSKGF-UHFFFAOYSA-N
MW189.25 g/mol
LogP1.00
Rot. Bonds8

About 2-(5-aminopentoxy)butanoic acid

2-(5-aminopentoxy)butanoic acid (PubChem CID 82352847) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 2-(5-aminopentoxy)butanoic acid.

Molecular Properties

Compound Name2-(5-aminopentoxy)butanoic acid
PubChem CID82352847
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name2-(5-aminopentoxy)butanoic acid
SMILESCCC(OCCCCCN)C(=O)O
InChIInChI=1S/C9H19NO3/c1-2-8(9(11)12)13-7-5-3-4-6-10/h8H,2-7,10H2,1H3,(H,11,12)
InChIKeyPOAVIPQMHHSKGF-UHFFFAOYSA-N
XLogP1.00
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 51.00
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

2-tetradec-6-enoxybutanoic acid
CID 90725661
2-[(8Z,11Z,14Z)-octadeca-8,11,14-trienoxy]butanoic acid
CID 138680323
(2S)-2-(2-chloroethoxy)butanoic acid
CID 97304350
2-decoxydecanoic acid
CID 152638766
2-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 18318696
2-nonadecoxybutanedioic acid
CID 122611322
(2S)-2-icosa-5,8,11,14,17-pentaenoxybutanoic acid
CID 91030738
2-[(5Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]butanoic acid
CID 118643971
2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]butanoic acid
CID 78210211
2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]butanoic acid;2-methylpropan-2-amine
CID 173108193
hexane-1,6-diamine;2-methylpropanoic acid
CID 21426939
2-(carboxymethoxy)butanedioic acid;tris(dodecan-1-amine)
CID 172726861

Frequently Asked Questions

What is the IUPAC name of 2-(5-aminopentoxy)butanoic acid?
The IUPAC name of 2-(5-aminopentoxy)butanoic acid (CID 82352847) is 2-(5-aminopentoxy)butanoic acid.
What is the SMILES notation for 2-(5-aminopentoxy)butanoic acid?
The canonical SMILES for 2-(5-aminopentoxy)butanoic acid is CCC(OCCCCCN)C(=O)O.
What is the InChIKey of 2-(5-aminopentoxy)butanoic acid?
The InChIKey is POAVIPQMHHSKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-2-8(9(11)12)13-7-5-3-4-6-10/h8H,2-7,10H2,1H3,(H,11,12).
What are the key properties of 2-(5-aminopentoxy)butanoic acid?
2-(5-aminopentoxy)butanoic acid has a molecular weight of 189.25 g/mol, XLogP of 1.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminopentoxy)butanoic acid is sourced from PubChem (CID 82352847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).