2-[[(2S)-5-oxooxolane-2-carbonyl]amino]acetic acid

C7H9NO5 — CID 66985529

IUPAC2-[[(2S)-5-oxooxolane-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)[C@@H]1CCC(=O)O1
InChIInChI=1S/C7H9NO5/c9-5(10)3-8-7(12)4-1-2-6(11)13-4/h4H,1-3H2,(H,8,12)(H,9,10)/t4-/m0/s1
InChIKeyJKTJSZRQLKHLQU-BYPYZUCNSA-N
MW187.15 g/mol
LogP-1.11
Rot. Bonds3

About 2-[[(2S)-5-oxooxolane-2-carbonyl]amino]acetic acid

2-[[(2S)-5-oxooxolane-2-carbonyl]amino]acetic acid (PubChem CID 66985529) has the molecular formula C7H9NO5 and a molecular weight of 187.15 g/mol. Its IUPAC name is 2-[[(2S)-5-oxooxolane-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-5-oxooxolane-2-carbonyl]amino]acetic acid
PubChem CID66985529
Molecular FormulaC7H9NO5
Molecular Weight187.15 g/mol
Exact Mass187.05
IUPAC Name2-[[(2S)-5-oxooxolane-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)[C@@H]1CCC(=O)O1
InChIInChI=1S/C7H9NO5/c9-5(10)3-8-7(12)4-1-2-6(11)13-4/h4H,1-3H2,(H,8,12)(H,9,10)/t4-/m0/s1
InChIKeyJKTJSZRQLKHLQU-BYPYZUCNSA-N
XLogP-1.11
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-5-oxooxolane-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[(2S)-5-oxooxolane-2-carbonyl]amino]acetic acid (CID 66985529) is 2-[[(2S)-5-oxooxolane-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2S)-5-oxooxolane-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[(2S)-5-oxooxolane-2-carbonyl]amino]acetic acid is O=C(O)CNC(=O)[C@@H]1CCC(=O)O1.
What is the InChIKey of 2-[[(2S)-5-oxooxolane-2-carbonyl]amino]acetic acid?
The InChIKey is JKTJSZRQLKHLQU-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H9NO5/c9-5(10)3-8-7(12)4-1-2-6(11)13-4/h4H,1-3H2,(H,8,12)(H,9,10)/t4-/m0/s1.
What are the key properties of 2-[[(2S)-5-oxooxolane-2-carbonyl]amino]acetic acid?
2-[[(2S)-5-oxooxolane-2-carbonyl]amino]acetic acid has a molecular weight of 187.15 g/mol, XLogP of -1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-5-oxooxolane-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 66985529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).