2-(2-aminoethyl)-5-(oxolan-2-yl)pentanoic acid

C11H21NO3 — CID 104681070

IUPAC2-(2-aminoethyl)-5-(oxolan-2-yl)pentanoic acid
SMILESNCCC(CCCC1CCCO1)C(=O)O
InChIInChI=1S/C11H21NO3/c12-7-6-9(11(13)14)3-1-4-10-5-2-8-15-10/h9-10H,1-8,12H2,(H,13,14)
InChIKeyUISLOOUNGWCKJF-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.39
Rot. Bonds7

About 2-(2-aminoethyl)-5-(oxolan-2-yl)pentanoic acid

2-(2-aminoethyl)-5-(oxolan-2-yl)pentanoic acid (PubChem CID 104681070) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-(2-aminoethyl)-5-(oxolan-2-yl)pentanoic acid.

Molecular Properties

Compound Name2-(2-aminoethyl)-5-(oxolan-2-yl)pentanoic acid
PubChem CID104681070
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-(2-aminoethyl)-5-(oxolan-2-yl)pentanoic acid
SMILESNCCC(CCCC1CCCO1)C(=O)O
InChIInChI=1S/C11H21NO3/c12-7-6-9(11(13)14)3-1-4-10-5-2-8-15-10/h9-10H,1-8,12H2,(H,13,14)
InChIKeyUISLOOUNGWCKJF-UHFFFAOYSA-N
XLogP1.39
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-2-[3-(oxolan-2-yl)propyl]hexanoic acid
CID 104681592
6-amino-2-[2-(oxolan-2-yl)ethyl]hexanoic acid
CID 104681591
(2S)-2-amino-5-(oxolan-2-yl)pentanoic acid
CID 106702722
3-methyl-6-(oxolan-2-yl)hexan-1-amine
CID 81013220
2,3-dimethyl-6-(oxolan-2-yl)hexanoic acid
CID 81007927
2-ethyl-4-(oxolan-2-yl)butanoic acid
CID 65161630
3-(oxolan-2-yl)-2-(oxolan-2-ylmethyl)propanoic acid
CID 14391738
4-methyl-2-[2-(oxolan-2-yl)ethyl]pentanoic acid
CID 65162425
5-[(2R)-oxolan-2-yl]pentanoic acid
CID 67391734
5-(oxolan-2-yl)pentanamide
CID 67128385
1,1-difluoro-5-(oxolan-2-yl)pentan-2-amine
CID 103516724
7-(oxolan-2-yl)heptanoic acid
CID 174977398

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-5-(oxolan-2-yl)pentanoic acid?
The IUPAC name of 2-(2-aminoethyl)-5-(oxolan-2-yl)pentanoic acid (CID 104681070) is 2-(2-aminoethyl)-5-(oxolan-2-yl)pentanoic acid.
What is the SMILES notation for 2-(2-aminoethyl)-5-(oxolan-2-yl)pentanoic acid?
The canonical SMILES for 2-(2-aminoethyl)-5-(oxolan-2-yl)pentanoic acid is NCCC(CCCC1CCCO1)C(=O)O.
What is the InChIKey of 2-(2-aminoethyl)-5-(oxolan-2-yl)pentanoic acid?
The InChIKey is UISLOOUNGWCKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c12-7-6-9(11(13)14)3-1-4-10-5-2-8-15-10/h9-10H,1-8,12H2,(H,13,14).
What are the key properties of 2-(2-aminoethyl)-5-(oxolan-2-yl)pentanoic acid?
2-(2-aminoethyl)-5-(oxolan-2-yl)pentanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-5-(oxolan-2-yl)pentanoic acid is sourced from PubChem (CID 104681070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).