5-(3-methoxypropylamino)pentanoic acid

C9H19NO3 — CID 103237135

IUPAC5-(3-methoxypropylamino)pentanoic acid
SMILESCOCCCNCCCCC(=O)O
InChIInChI=1S/C9H19NO3/c1-13-8-4-7-10-6-3-2-5-9(11)12/h10H,2-8H2,1H3,(H,11,12)
InChIKeyKACCFYRQLXPCOV-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.87
Rot. Bonds9

About 5-(3-methoxypropylamino)pentanoic acid

5-(3-methoxypropylamino)pentanoic acid (PubChem CID 103237135) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 5-(3-methoxypropylamino)pentanoic acid.

Molecular Properties

Compound Name5-(3-methoxypropylamino)pentanoic acid
PubChem CID103237135
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name5-(3-methoxypropylamino)pentanoic acid
SMILESCOCCCNCCCCC(=O)O
InChIInChI=1S/C9H19NO3/c1-13-8-4-7-10-6-3-2-5-9(11)12/h10H,2-8H2,1H3,(H,11,12)
InChIKeyKACCFYRQLXPCOV-UHFFFAOYSA-N
XLogP0.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.87
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

6-(3-methoxypropylcarbamoylamino)hexanoic acid
CID 61196708
6-(3-methoxypropylcarbamothioylamino)hexanoic acid
CID 4174298
tetrakis(2-methoxy-N-(2-methoxyethyl)ethanamine);undecanedioic acid;undecanoic acid
CID 173173629
5-(5-methoxypentanoylamino)pentanoic acid
CID 119234359
11-[2-[2-[2-[2-(5-carboxypentylamino)ethylamino]ethylamino]ethylamino]ethylamino]undecanoic acid
CID 18956800
15-(3-carboxypropylamino)pentadecanoic acid
CID 87379366
5-(propylamino)pentanoic acid
CID 103691549
6-(hentetracontylamino)hexanoic acid
CID 146291055
6-(hexylamino)hexanoic acid
CID 18001086
12-(pentylamino)dodecanoic acid
CID 57245176
decanedioic acid;N-hexylhexan-1-amine
CID 88745136
13-(hexylamino)tridecanoic acid
CID 21488721

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxypropylamino)pentanoic acid?
The IUPAC name of 5-(3-methoxypropylamino)pentanoic acid (CID 103237135) is 5-(3-methoxypropylamino)pentanoic acid.
What is the SMILES notation for 5-(3-methoxypropylamino)pentanoic acid?
The canonical SMILES for 5-(3-methoxypropylamino)pentanoic acid is COCCCNCCCCC(=O)O.
What is the InChIKey of 5-(3-methoxypropylamino)pentanoic acid?
The InChIKey is KACCFYRQLXPCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-13-8-4-7-10-6-3-2-5-9(11)12/h10H,2-8H2,1H3,(H,11,12).
What are the key properties of 5-(3-methoxypropylamino)pentanoic acid?
5-(3-methoxypropylamino)pentanoic acid has a molecular weight of 189.25 g/mol, XLogP of 0.87, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxypropylamino)pentanoic acid is sourced from PubChem (CID 103237135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).