4-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]butanoic acid

C8H14N2O4 — CID 43473397

IUPAC4-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]butanoic acid
SMILESO=C(O)CCCNCC1CNC(=O)O1
InChIInChI=1S/C8H14N2O4/c11-7(12)2-1-3-9-4-6-5-10-8(13)14-6/h6,9H,1-5H2,(H,10,13)(H,11,12)
InChIKeyUEDFPDMZGBAORU-UHFFFAOYSA-N
MW202.21 g/mol
LogP-0.45
Rot. Bonds6

About 4-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]butanoic acid

4-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]butanoic acid (PubChem CID 43473397) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]butanoic acid.

Molecular Properties

Compound Name4-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]butanoic acid
PubChem CID43473397
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name4-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]butanoic acid
SMILESO=C(O)CCCNCC1CNC(=O)O1
InChIInChI=1S/C8H14N2O4/c11-7(12)2-1-3-9-4-6-5-10-8(13)14-6/h6,9H,1-5H2,(H,10,13)(H,11,12)
InChIKeyUEDFPDMZGBAORU-UHFFFAOYSA-N
XLogP-0.45
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5R)-2-oxo-1,3-oxazolidin-5-yl]acetic acid
CID 11217327
2-[(5S)-2-oxo-1,3-oxazolidin-5-yl]acetic acid
CID 13947085
2-(2-Oxooxazolidin-5-yl)acetic acid
CID 13947084
[(5R)-2-oxo-1,3-oxazolidin-5-yl]methyl 4-aminobutanoate
CID 57558006
4-[4-[(2-Oxo-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]butanoic acid
CID 142663238
3-[(2-Oxo-1,3-oxazolidin-5-yl)methylamino]propanoic acid
CID 43466758
Ethyl 4-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]butanoate
CID 60706719
4-[(2-Oxo-1,3-oxazolidin-5-yl)methyl-propan-2-ylamino]butanoic acid
CID 60835383
3-[Methyl-[(2-oxo-1,3-oxazolidin-5-yl)methyl]amino]propanoic acid
CID 60987224
4-[Methyl-[(2-oxo-1,3-oxazolidin-5-yl)methyl]amino]butanoic acid
CID 61601731
2-[Methyl-[(2-oxo-1,3-oxazolidin-5-yl)methyl]amino]butanoic acid
CID 61816668
Methyl 4-[methyl-[(2-oxo-1,3-oxazolidin-5-yl)methyl]amino]butanoate
CID 62012492

Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]butanoic acid?
The IUPAC name of 4-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]butanoic acid (CID 43473397) is 4-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]butanoic acid.
What is the SMILES notation for 4-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]butanoic acid?
The canonical SMILES for 4-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]butanoic acid is O=C(O)CCCNCC1CNC(=O)O1.
What is the InChIKey of 4-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]butanoic acid?
The InChIKey is UEDFPDMZGBAORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c11-7(12)2-1-3-9-4-6-5-10-8(13)14-6/h6,9H,1-5H2,(H,10,13)(H,11,12).
What are the key properties of 4-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]butanoic acid?
4-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]butanoic acid has a molecular weight of 202.21 g/mol, XLogP of -0.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxo-1,3-oxazolidin-5-yl)methylamino]butanoic acid is sourced from PubChem (CID 43473397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).