4-[(5-oxooxolane-2-carbonyl)amino]butanoic acid

C9H13NO5 — CID 165464002

IUPAC4-[(5-oxooxolane-2-carbonyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)C1CCC(=O)O1
InChIInChI=1S/C9H13NO5/c11-7(12)2-1-5-10-9(14)6-3-4-8(13)15-6/h6H,1-5H2,(H,10,14)(H,11,12)
InChIKeyZGDMRQNIDFVWPA-UHFFFAOYSA-N
MW215.20 g/mol
LogP-0.33
Rot. Bonds5

About 4-[(5-oxooxolane-2-carbonyl)amino]butanoic acid

4-[(5-oxooxolane-2-carbonyl)amino]butanoic acid (PubChem CID 165464002) has the molecular formula C9H13NO5 and a molecular weight of 215.20 g/mol. Its IUPAC name is 4-[(5-oxooxolane-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(5-oxooxolane-2-carbonyl)amino]butanoic acid
PubChem CID165464002
Molecular FormulaC9H13NO5
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name4-[(5-oxooxolane-2-carbonyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)C1CCC(=O)O1
InChIInChI=1S/C9H13NO5/c11-7(12)2-1-5-10-9(14)6-3-4-8(13)15-6/h6H,1-5H2,(H,10,14)(H,11,12)
InChIKeyZGDMRQNIDFVWPA-UHFFFAOYSA-N
XLogP-0.33
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2S)-5-oxooxolane-2-carbonyl]amino]acetic acid
CID 66985529
6-[[(2S)-oxolane-2-carbonyl]amino]hexanoic acid
CID 30112632
5-oxo-N-(4-oxocyclohexyl)oxolane-2-carboxamide
CID 77230935
5-(8-hydroxyoctanoyl)oxolan-2-one
CID 15716528
4-[(2-methylcyclopropanecarbonyl)amino]butanoic acid
CID 16772815
6-(3-carboxypropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 54868731
7-(oxane-4-carbonylamino)heptanoic acid
CID 28779379
6-(cyclobutanecarbonylamino)hexanoic acid
CID 16786054
N-nonan-4-yl-5-oxooxolane-2-carboxamide
CID 139517346
7-(cyclooctanecarbonylamino)heptanoic acid
CID 65019467
6-(bicyclo[3.1.0]hexane-6-carbonylamino)hexanoic acid
CID 81455114
4-[(2,2-dicyclopropylacetyl)amino]butanoic acid
CID 120513465

Frequently Asked Questions

What is the IUPAC name of 4-[(5-oxooxolane-2-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[(5-oxooxolane-2-carbonyl)amino]butanoic acid (CID 165464002) is 4-[(5-oxooxolane-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(5-oxooxolane-2-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(5-oxooxolane-2-carbonyl)amino]butanoic acid is O=C(O)CCCNC(=O)C1CCC(=O)O1.
What is the InChIKey of 4-[(5-oxooxolane-2-carbonyl)amino]butanoic acid?
The InChIKey is ZGDMRQNIDFVWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO5/c11-7(12)2-1-5-10-9(14)6-3-4-8(13)15-6/h6H,1-5H2,(H,10,14)(H,11,12).
What are the key properties of 4-[(5-oxooxolane-2-carbonyl)amino]butanoic acid?
4-[(5-oxooxolane-2-carbonyl)amino]butanoic acid has a molecular weight of 215.20 g/mol, XLogP of -0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-oxooxolane-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 165464002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).