4-amino-5-(oxolan-3-yl)pentanoic acid

C9H17NO3 — CID 62961692

IUPAC4-amino-5-(oxolan-3-yl)pentanoic acid
SMILESNC(CCC(=O)O)CC1CCOC1
InChIInChI=1S/C9H17NO3/c10-8(1-2-9(11)12)5-7-3-4-13-6-7/h7-8H,1-6,10H2,(H,11,12)
InChIKeyARRJYLZMHVOXDR-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.61
Rot. Bonds5

About 4-amino-5-(oxolan-3-yl)pentanoic acid

4-amino-5-(oxolan-3-yl)pentanoic acid (PubChem CID 62961692) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 4-amino-5-(oxolan-3-yl)pentanoic acid.

Molecular Properties

Compound Name4-amino-5-(oxolan-3-yl)pentanoic acid
PubChem CID62961692
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name4-amino-5-(oxolan-3-yl)pentanoic acid
SMILESNC(CCC(=O)O)CC1CCOC1
InChIInChI=1S/C9H17NO3/c10-8(1-2-9(11)12)5-7-3-4-13-6-7/h7-8H,1-6,10H2,(H,11,12)
InChIKeyARRJYLZMHVOXDR-UHFFFAOYSA-N
XLogP0.61
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(oxolan-3-yl)pentanoic acid?
The IUPAC name of 4-amino-5-(oxolan-3-yl)pentanoic acid (CID 62961692) is 4-amino-5-(oxolan-3-yl)pentanoic acid.
What is the SMILES notation for 4-amino-5-(oxolan-3-yl)pentanoic acid?
The canonical SMILES for 4-amino-5-(oxolan-3-yl)pentanoic acid is NC(CCC(=O)O)CC1CCOC1.
What is the InChIKey of 4-amino-5-(oxolan-3-yl)pentanoic acid?
The InChIKey is ARRJYLZMHVOXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c10-8(1-2-9(11)12)5-7-3-4-13-6-7/h7-8H,1-6,10H2,(H,11,12).
What are the key properties of 4-amino-5-(oxolan-3-yl)pentanoic acid?
4-amino-5-(oxolan-3-yl)pentanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(oxolan-3-yl)pentanoic acid is sourced from PubChem (CID 62961692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).