2-[[(3S)-2-oxooxolan-3-yl]amino]acetic acid

C6H9NO4 — CID 28896991

IUPAC2-[[(3S)-2-oxooxolan-3-yl]amino]acetic acid
SMILESO=C(O)CN[C@H]1CCOC1=O
InChIInChI=1S/C6H9NO4/c8-5(9)3-7-4-1-2-11-6(4)10/h4,7H,1-3H2,(H,8,9)/t4-/m0/s1
InChIKeyOEEHNTQUQWHBBA-BYPYZUCNSA-N
MW159.14 g/mol
LogP-1.02
Rot. Bonds3

About 2-[[(3S)-2-oxooxolan-3-yl]amino]acetic acid

2-[[(3S)-2-oxooxolan-3-yl]amino]acetic acid (PubChem CID 28896991) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is 2-[[(3S)-2-oxooxolan-3-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(3S)-2-oxooxolan-3-yl]amino]acetic acid
PubChem CID28896991
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name2-[[(3S)-2-oxooxolan-3-yl]amino]acetic acid
SMILESO=C(O)CN[C@H]1CCOC1=O
InChIInChI=1S/C6H9NO4/c8-5(9)3-7-4-1-2-11-6(4)10/h4,7H,1-3H2,(H,8,9)/t4-/m0/s1
InChIKeyOEEHNTQUQWHBBA-BYPYZUCNSA-N
XLogP-1.02
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-2-oxooxolan-3-yl]amino]acetic acid?
The IUPAC name of 2-[[(3S)-2-oxooxolan-3-yl]amino]acetic acid (CID 28896991) is 2-[[(3S)-2-oxooxolan-3-yl]amino]acetic acid.
What is the SMILES notation for 2-[[(3S)-2-oxooxolan-3-yl]amino]acetic acid?
The canonical SMILES for 2-[[(3S)-2-oxooxolan-3-yl]amino]acetic acid is O=C(O)CN[C@H]1CCOC1=O.
What is the InChIKey of 2-[[(3S)-2-oxooxolan-3-yl]amino]acetic acid?
The InChIKey is OEEHNTQUQWHBBA-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H9NO4/c8-5(9)3-7-4-1-2-11-6(4)10/h4,7H,1-3H2,(H,8,9)/t4-/m0/s1.
What are the key properties of 2-[[(3S)-2-oxooxolan-3-yl]amino]acetic acid?
2-[[(3S)-2-oxooxolan-3-yl]amino]acetic acid has a molecular weight of 159.14 g/mol, XLogP of -1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-2-oxooxolan-3-yl]amino]acetic acid is sourced from PubChem (CID 28896991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).