2-oxo-2-(oxolan-3-ylmethylamino)acetic acid

C7H11NO4 — CID 62824224

IUPAC2-oxo-2-(oxolan-3-ylmethylamino)acetic acid
SMILESO=C(O)C(=O)NCC1CCOC1
InChIInChI=1S/C7H11NO4/c9-6(7(10)11)8-3-5-1-2-12-4-5/h5H,1-4H2,(H,8,9)(H,10,11)
InChIKeyYJELSTYFTJWMJV-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.78
Rot. Bonds2

About 2-oxo-2-(oxolan-3-ylmethylamino)acetic acid

2-oxo-2-(oxolan-3-ylmethylamino)acetic acid (PubChem CID 62824224) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is 2-oxo-2-(oxolan-3-ylmethylamino)acetic acid.

Molecular Properties

Compound Name2-oxo-2-(oxolan-3-ylmethylamino)acetic acid
PubChem CID62824224
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name2-oxo-2-(oxolan-3-ylmethylamino)acetic acid
SMILESO=C(O)C(=O)NCC1CCOC1
InChIInChI=1S/C7H11NO4/c9-6(7(10)11)8-3-5-1-2-12-4-5/h5H,1-4H2,(H,8,9)(H,10,11)
InChIKeyYJELSTYFTJWMJV-UHFFFAOYSA-N
XLogP-0.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(2-amino-2-sulfanylideneethyl)-N-(oxolan-3-ylmethyl)oxamide
CID 62825062
2,2-difluoro-N-(oxolan-3-ylmethyl)acetamide
CID 103515423
2-methyl-N-(oxolan-3-ylmethyl)propanamide
CID 60757135
6-oxo-6-(oxolan-3-ylmethylamino)hexanoic acid
CID 60919659
3-(oxolan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103550051
2-(oxolan-3-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 54933491
2-(oxolan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978063
1-(oxolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 62823489
N-(oxolan-3-ylmethyl)but-2-enamide
CID 112727361
[(3S)-oxolan-3-yl]methylthiourea
CID 155092618
3,3-dimethyl-2-(oxolan-3-ylmethylcarbamoyl)butanoic acid
CID 116537103
2-(oxolan-3-ylmethylcarbamoylamino)butanoic acid
CID 62823323

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-(oxolan-3-ylmethylamino)acetic acid?
The IUPAC name of 2-oxo-2-(oxolan-3-ylmethylamino)acetic acid (CID 62824224) is 2-oxo-2-(oxolan-3-ylmethylamino)acetic acid.
What is the SMILES notation for 2-oxo-2-(oxolan-3-ylmethylamino)acetic acid?
The canonical SMILES for 2-oxo-2-(oxolan-3-ylmethylamino)acetic acid is O=C(O)C(=O)NCC1CCOC1.
What is the InChIKey of 2-oxo-2-(oxolan-3-ylmethylamino)acetic acid?
The InChIKey is YJELSTYFTJWMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c9-6(7(10)11)8-3-5-1-2-12-4-5/h5H,1-4H2,(H,8,9)(H,10,11).
What are the key properties of 2-oxo-2-(oxolan-3-ylmethylamino)acetic acid?
2-oxo-2-(oxolan-3-ylmethylamino)acetic acid has a molecular weight of 173.17 g/mol, XLogP of -0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(oxolan-3-ylmethylamino)acetic acid is sourced from PubChem (CID 62824224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).