1-[[2-(1,2-oxazol-3-yl)acetyl]amino]cyclobutane-1-carboxylic acid

C10H12N2O4 — CID 115910187

IUPAC1-[[2-(1,2-oxazol-3-yl)acetyl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(Cc1ccon1)NC1(C(=O)O)CCC1
InChIInChI=1S/C10H12N2O4/c13-8(6-7-2-5-16-12-7)11-10(9(14)15)3-1-4-10/h2,5H,1,3-4,6H2,(H,11,13)(H,14,15)
InChIKeyNXCBEAGUQAWTOG-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.34
Rot. Bonds4

About 1-[[2-(1,2-oxazol-3-yl)acetyl]amino]cyclobutane-1-carboxylic acid

1-[[2-(1,2-oxazol-3-yl)acetyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 115910187) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 1-[[2-(1,2-oxazol-3-yl)acetyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(1,2-oxazol-3-yl)acetyl]amino]cyclobutane-1-carboxylic acid
PubChem CID115910187
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name1-[[2-(1,2-oxazol-3-yl)acetyl]amino]cyclobutane-1-carboxylic acid
SMILESO=C(Cc1ccon1)NC1(C(=O)O)CCC1
InChIInChI=1S/C10H12N2O4/c13-8(6-7-2-5-16-12-7)11-10(9(14)15)3-1-4-10/h2,5H,1,3-4,6H2,(H,11,13)(H,14,15)
InChIKeyNXCBEAGUQAWTOG-UHFFFAOYSA-N
XLogP0.34
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2-oxazole-3-carbonylamino)cyclobutane-1-carboxylic acid
CID 81158788
1-[[2-(5-amino-2-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 107338192
1-[[2-(6-bromo-2-pyridinyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 153387632
1-[[2-(4-ethylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 119176767
1-[[2-[6-(trifluoromethyl)-2-pyridinyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 166277022
1-[[2-(3-hydroxyphenyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81163856
1-[[2-(4-methylphenyl)acetyl]amino]cycloheptane-1-carboxylic acid
CID 43341572
1-[[2-(1H-pyrazol-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 79139388
1-[(2-naphthalen-2-ylacetyl)amino]cyclobutane-1-carboxylic acid
CID 81164008
N-carbamothioyl-2-(1,2-oxazol-3-yl)acetamide
CID 54041905
2-cyclopropyl-2-[[2-(1,2-oxazol-3-yl)acetyl]amino]acetic acid
CID 115730815
1-[[2-(2-fluorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43329539

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(1,2-oxazol-3-yl)acetyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[2-(1,2-oxazol-3-yl)acetyl]amino]cyclobutane-1-carboxylic acid (CID 115910187) is 1-[[2-(1,2-oxazol-3-yl)acetyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(1,2-oxazol-3-yl)acetyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(1,2-oxazol-3-yl)acetyl]amino]cyclobutane-1-carboxylic acid is O=C(Cc1ccon1)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-[[2-(1,2-oxazol-3-yl)acetyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is NXCBEAGUQAWTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c13-8(6-7-2-5-16-12-7)11-10(9(14)15)3-1-4-10/h2,5H,1,3-4,6H2,(H,11,13)(H,14,15).
What are the key properties of 1-[[2-(1,2-oxazol-3-yl)acetyl]amino]cyclobutane-1-carboxylic acid?
1-[[2-(1,2-oxazol-3-yl)acetyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(1,2-oxazol-3-yl)acetyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115910187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).