3-[[2-(5-methyl-1,3-oxazol-2-yl)acetyl]amino]butanoic acid

C10H14N2O4 — CID 110836115

IUPAC3-[[2-(5-methyl-1,3-oxazol-2-yl)acetyl]amino]butanoic acid
SMILESCc1cnc(CC(=O)NC(C)CC(=O)O)o1
InChIInChI=1S/C10H14N2O4/c1-6(3-10(14)15)12-8(13)4-9-11-5-7(2)16-9/h5-6H,3-4H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyKAIQYMHMAVTZKU-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.50
Rot. Bonds5

About 3-[[2-(5-methyl-1,3-oxazol-2-yl)acetyl]amino]butanoic acid

3-[[2-(5-methyl-1,3-oxazol-2-yl)acetyl]amino]butanoic acid (PubChem CID 110836115) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 3-[[2-(5-methyl-1,3-oxazol-2-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[2-(5-methyl-1,3-oxazol-2-yl)acetyl]amino]butanoic acid
PubChem CID110836115
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name3-[[2-(5-methyl-1,3-oxazol-2-yl)acetyl]amino]butanoic acid
SMILESCc1cnc(CC(=O)NC(C)CC(=O)O)o1
InChIInChI=1S/C10H14N2O4/c1-6(3-10(14)15)12-8(13)4-9-11-5-7(2)16-9/h5-6H,3-4H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyKAIQYMHMAVTZKU-UHFFFAOYSA-N
XLogP0.50
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminopropan-2-yl)-2-(5-methyl-1,3-oxazol-2-yl)acetamide
CID 83617650
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-N-propan-2-ylacetamide
CID 106372389
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]acetic acid
CID 106372016
3-[[2-(3-methyl-2-pyridinyl)acetyl]amino]butanoic acid
CID 107147106
5-methyl-3-[[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]methyl]hexanoic acid
CID 106374847
2-methyl-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]butanoic acid
CID 106371994
3-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]hexanoic acid
CID 106374501
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-sulfanylpropanamide
CID 106377758
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-phenylacetamide
CID 110660350
4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]-4-oxobutanoic acid
CID 106387752
3-methoxy-4-[(5-methyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid
CID 114180678
(3R)-3-[[2-(4-bromophenyl)acetyl]amino]butanoic acid
CID 93262777

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(5-methyl-1,3-oxazol-2-yl)acetyl]amino]butanoic acid?
The IUPAC name of 3-[[2-(5-methyl-1,3-oxazol-2-yl)acetyl]amino]butanoic acid (CID 110836115) is 3-[[2-(5-methyl-1,3-oxazol-2-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 3-[[2-(5-methyl-1,3-oxazol-2-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 3-[[2-(5-methyl-1,3-oxazol-2-yl)acetyl]amino]butanoic acid is Cc1cnc(CC(=O)NC(C)CC(=O)O)o1.
What is the InChIKey of 3-[[2-(5-methyl-1,3-oxazol-2-yl)acetyl]amino]butanoic acid?
The InChIKey is KAIQYMHMAVTZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-6(3-10(14)15)12-8(13)4-9-11-5-7(2)16-9/h5-6H,3-4H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 3-[[2-(5-methyl-1,3-oxazol-2-yl)acetyl]amino]butanoic acid?
3-[[2-(5-methyl-1,3-oxazol-2-yl)acetyl]amino]butanoic acid has a molecular weight of 226.23 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(5-methyl-1,3-oxazol-2-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 110836115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).