2-(aminomethyl)oxolane-2-carboxylic acid

C6H11NO3 — CID 146155430

IUPAC2-(aminomethyl)oxolane-2-carboxylic acid
SMILESNCC1(C(=O)O)CCCO1
InChIInChI=1S/C6H11NO3/c7-4-6(5(8)9)2-1-3-10-6/h1-4,7H2,(H,8,9)
InChIKeyBWZNGTHUKXHSAU-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.42
Rot. Bonds2

About 2-(aminomethyl)oxolane-2-carboxylic acid

2-(aminomethyl)oxolane-2-carboxylic acid (PubChem CID 146155430) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 2-(aminomethyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name2-(aminomethyl)oxolane-2-carboxylic acid
PubChem CID146155430
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name2-(aminomethyl)oxolane-2-carboxylic acid
SMILESNCC1(C(=O)O)CCCO1
InChIInChI=1S/C6H11NO3/c7-4-6(5(8)9)2-1-3-10-6/h1-4,7H2,(H,8,9)
InChIKeyBWZNGTHUKXHSAU-UHFFFAOYSA-N
XLogP-0.42
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)oxolane-2-carboxylic acid?
The IUPAC name of 2-(aminomethyl)oxolane-2-carboxylic acid (CID 146155430) is 2-(aminomethyl)oxolane-2-carboxylic acid.
What is the SMILES notation for 2-(aminomethyl)oxolane-2-carboxylic acid?
The canonical SMILES for 2-(aminomethyl)oxolane-2-carboxylic acid is NCC1(C(=O)O)CCCO1.
What is the InChIKey of 2-(aminomethyl)oxolane-2-carboxylic acid?
The InChIKey is BWZNGTHUKXHSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c7-4-6(5(8)9)2-1-3-10-6/h1-4,7H2,(H,8,9).
What are the key properties of 2-(aminomethyl)oxolane-2-carboxylic acid?
2-(aminomethyl)oxolane-2-carboxylic acid has a molecular weight of 145.16 g/mol, XLogP of -0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 146155430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).