2-(oxolan-2-ylmethylamino)acetic acid

C7H13NO3 — CID 43114896

IUPAC2-(oxolan-2-ylmethylamino)acetic acid
SMILESO=C(O)CNCC1CCCO1
InChIInChI=1S/C7H13NO3/c9-7(10)5-8-4-6-2-1-3-11-6/h6,8H,1-5H2,(H,9,10)
InChIKeyIJVIACRZJXSRML-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.16
Rot. Bonds4

About 2-(oxolan-2-ylmethylamino)acetic acid

2-(oxolan-2-ylmethylamino)acetic acid (PubChem CID 43114896) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylamino)acetic acid.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylamino)acetic acid
PubChem CID43114896
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name2-(oxolan-2-ylmethylamino)acetic acid
SMILESO=C(O)CNCC1CCCO1
InChIInChI=1S/C7H13NO3/c9-7(10)5-8-4-6-2-1-3-11-6/h6,8H,1-5H2,(H,9,10)
InChIKeyIJVIACRZJXSRML-UHFFFAOYSA-N
XLogP-0.16
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylamino)acetic acid?
The IUPAC name of 2-(oxolan-2-ylmethylamino)acetic acid (CID 43114896) is 2-(oxolan-2-ylmethylamino)acetic acid.
What is the SMILES notation for 2-(oxolan-2-ylmethylamino)acetic acid?
The canonical SMILES for 2-(oxolan-2-ylmethylamino)acetic acid is O=C(O)CNCC1CCCO1.
What is the InChIKey of 2-(oxolan-2-ylmethylamino)acetic acid?
The InChIKey is IJVIACRZJXSRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c9-7(10)5-8-4-6-2-1-3-11-6/h6,8H,1-5H2,(H,9,10).
What are the key properties of 2-(oxolan-2-ylmethylamino)acetic acid?
2-(oxolan-2-ylmethylamino)acetic acid has a molecular weight of 159.18 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylamino)acetic acid is sourced from PubChem (CID 43114896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).