4-amino-3-(2-chloro-1,3-oxazol-5-yl)butanoic acid

C7H9ClN2O3 — CID 84672745

IUPAC4-amino-3-(2-chloro-1,3-oxazol-5-yl)butanoic acid
SMILESNCC(CC(=O)O)c1cnc(Cl)o1
InChIInChI=1S/C7H9ClN2O3/c8-7-10-3-5(13-7)4(2-9)1-6(11)12/h3-4H,1-2,9H2,(H,11,12)
InChIKeyMEMPQAPRVMEBKQ-UHFFFAOYSA-N
MW204.61 g/mol
LogP0.85
Rot. Bonds4

About 4-amino-3-(2-chloro-1,3-oxazol-5-yl)butanoic acid

4-amino-3-(2-chloro-1,3-oxazol-5-yl)butanoic acid (PubChem CID 84672745) has the molecular formula C7H9ClN2O3 and a molecular weight of 204.61 g/mol. Its IUPAC name is 4-amino-3-(2-chloro-1,3-oxazol-5-yl)butanoic acid.

Molecular Properties

Compound Name4-amino-3-(2-chloro-1,3-oxazol-5-yl)butanoic acid
PubChem CID84672745
Molecular FormulaC7H9ClN2O3
Molecular Weight204.61 g/mol
Exact Mass204.03
IUPAC Name4-amino-3-(2-chloro-1,3-oxazol-5-yl)butanoic acid
SMILESNCC(CC(=O)O)c1cnc(Cl)o1
InChIInChI=1S/C7H9ClN2O3/c8-7-10-3-5(13-7)4(2-9)1-6(11)12/h3-4H,1-2,9H2,(H,11,12)
InChIKeyMEMPQAPRVMEBKQ-UHFFFAOYSA-N
XLogP0.85
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.61
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-chloro-1,3-oxazol-5-yl)butanoic acid?
The IUPAC name of 4-amino-3-(2-chloro-1,3-oxazol-5-yl)butanoic acid (CID 84672745) is 4-amino-3-(2-chloro-1,3-oxazol-5-yl)butanoic acid.
What is the SMILES notation for 4-amino-3-(2-chloro-1,3-oxazol-5-yl)butanoic acid?
The canonical SMILES for 4-amino-3-(2-chloro-1,3-oxazol-5-yl)butanoic acid is NCC(CC(=O)O)c1cnc(Cl)o1.
What is the InChIKey of 4-amino-3-(2-chloro-1,3-oxazol-5-yl)butanoic acid?
The InChIKey is MEMPQAPRVMEBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O3/c8-7-10-3-5(13-7)4(2-9)1-6(11)12/h3-4H,1-2,9H2,(H,11,12).
What are the key properties of 4-amino-3-(2-chloro-1,3-oxazol-5-yl)butanoic acid?
4-amino-3-(2-chloro-1,3-oxazol-5-yl)butanoic acid has a molecular weight of 204.61 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-chloro-1,3-oxazol-5-yl)butanoic acid is sourced from PubChem (CID 84672745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).