4-[[2-(1,3-oxazol-4-yl)acetyl]amino]butanoic acid

C9H12N2O4 — CID 110836026

IUPAC4-[[2-(1,3-oxazol-4-yl)acetyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)Cc1cocn1
InChIInChI=1S/C9H12N2O4/c12-8(4-7-5-15-6-11-7)10-3-1-2-9(13)14/h5-6H,1-4H2,(H,10,12)(H,13,14)
InChIKeyZLAKNMKVWPEWNC-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.20
Rot. Bonds6

About 4-[[2-(1,3-oxazol-4-yl)acetyl]amino]butanoic acid

4-[[2-(1,3-oxazol-4-yl)acetyl]amino]butanoic acid (PubChem CID 110836026) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 4-[[2-(1,3-oxazol-4-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[2-(1,3-oxazol-4-yl)acetyl]amino]butanoic acid
PubChem CID110836026
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name4-[[2-(1,3-oxazol-4-yl)acetyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)Cc1cocn1
InChIInChI=1S/C9H12N2O4/c12-8(4-7-5-15-6-11-7)10-3-1-2-9(13)14/h5-6H,1-4H2,(H,10,12)(H,13,14)
InChIKeyZLAKNMKVWPEWNC-UHFFFAOYSA-N
XLogP0.20
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.20
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

3-[[2-(1,3-oxazol-4-yl)acetyl]amino]propanoic acid
CID 83617873
2-(1,3-oxazol-4-yl)-N-propylacetamide
CID 110686223
3-(1,3-oxazol-4-yl)-N-pentylpropanamide
CID 110679032
N-[(4-fluorophenyl)methyl]-2-(1,3-oxazol-4-yl)acetamide
CID 110686255
3-[[2-(2-methyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
CID 110836055
4-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanoic acid
CID 107147074
4-[[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 82547800
4-[[2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 82547802
4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid
CID 43355166
6-[(2-pyridin-4-ylacetyl)amino]hexanoic acid
CID 16789577
7-[(2-pyridin-4-ylacetyl)amino]heptanoic acid
CID 24700548
5-[[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid
CID 119235347

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1,3-oxazol-4-yl)acetyl]amino]butanoic acid?
The IUPAC name of 4-[[2-(1,3-oxazol-4-yl)acetyl]amino]butanoic acid (CID 110836026) is 4-[[2-(1,3-oxazol-4-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 4-[[2-(1,3-oxazol-4-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 4-[[2-(1,3-oxazol-4-yl)acetyl]amino]butanoic acid is O=C(O)CCCNC(=O)Cc1cocn1.
What is the InChIKey of 4-[[2-(1,3-oxazol-4-yl)acetyl]amino]butanoic acid?
The InChIKey is ZLAKNMKVWPEWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c12-8(4-7-5-15-6-11-7)10-3-1-2-9(13)14/h5-6H,1-4H2,(H,10,12)(H,13,14).
What are the key properties of 4-[[2-(1,3-oxazol-4-yl)acetyl]amino]butanoic acid?
4-[[2-(1,3-oxazol-4-yl)acetyl]amino]butanoic acid has a molecular weight of 212.20 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1,3-oxazol-4-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 110836026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).