2-amino-2-(3-methyloxolan-2-yl)acetic acid

C7H13NO3 — CID 558956

IUPAC2-amino-2-(3-methyloxolan-2-yl)acetic acid
SMILESCC1CCOC1C(N)C(=O)O
InChIInChI=1S/C7H13NO3/c1-4-2-3-11-6(4)5(8)7(9)10/h4-6H,2-3,8H2,1H3,(H,9,10)
InChIKeyXZEARVCTBOKURH-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.18
Rot. Bonds2

About 2-amino-2-(3-methyloxolan-2-yl)acetic acid

2-amino-2-(3-methyloxolan-2-yl)acetic acid (PubChem CID 558956) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-amino-2-(3-methyloxolan-2-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(3-methyloxolan-2-yl)acetic acid
PubChem CID558956
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Name2-amino-2-(3-methyloxolan-2-yl)acetic acid
SMILESCC1CCOC1C(N)C(=O)O
InChIInChI=1S/C7H13NO3/c1-4-2-3-11-6(4)5(8)7(9)10/h4-6H,2-3,8H2,1H3,(H,9,10)
InChIKeyXZEARVCTBOKURH-UHFFFAOYSA-N
XLogP-0.18
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-methyloxolan-2-yl)acetic acid?
The IUPAC name of 2-amino-2-(3-methyloxolan-2-yl)acetic acid (CID 558956) is 2-amino-2-(3-methyloxolan-2-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(3-methyloxolan-2-yl)acetic acid?
The canonical SMILES for 2-amino-2-(3-methyloxolan-2-yl)acetic acid is CC1CCOC1C(N)C(=O)O.
What is the InChIKey of 2-amino-2-(3-methyloxolan-2-yl)acetic acid?
The InChIKey is XZEARVCTBOKURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-4-2-3-11-6(4)5(8)7(9)10/h4-6H,2-3,8H2,1H3,(H,9,10).
What are the key properties of 2-amino-2-(3-methyloxolan-2-yl)acetic acid?
2-amino-2-(3-methyloxolan-2-yl)acetic acid has a molecular weight of 159.19 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-methyloxolan-2-yl)acetic acid is sourced from PubChem (CID 558956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).