2-amino-3-[5-methyl-2-[(5-methyl-3-oxo-1,2-oxazol-4-yl)methyl]-3-oxo-1,2-oxazolidin-4-yl]propanoic acid

C12H17N3O6 — CID 57347808

IUPAC2-amino-3-[5-methyl-2-[(5-methyl-3-oxo-1,2-oxazol-4-yl)methyl]-3-oxo-1,2-oxazolidin-4-yl]propanoic acid
SMILESCc1o[nH]c(=O)c1CN1OC(C)C(CC(N)C(=O)O)C1=O
InChIInChI=1S/C12H17N3O6/c1-5-8(10(16)14-20-5)4-15-11(17)7(6(2)21-15)3-9(13)12(18)19/h6-7,9H,3-4,13H2,1-2H3,(H,14,16)(H,18,19)
InChIKeyKYZVKROAGDDFRO-UHFFFAOYSA-N
MW299.28 g/mol
LogP-0.64
Rot. Bonds5

About 2-amino-3-[5-methyl-2-[(5-methyl-3-oxo-1,2-oxazol-4-yl)methyl]-3-oxo-1,2-oxazolidin-4-yl]propanoic acid

2-amino-3-[5-methyl-2-[(5-methyl-3-oxo-1,2-oxazol-4-yl)methyl]-3-oxo-1,2-oxazolidin-4-yl]propanoic acid (PubChem CID 57347808) has the molecular formula C12H17N3O6 and a molecular weight of 299.28 g/mol. Its IUPAC name is 2-amino-3-[5-methyl-2-[(5-methyl-3-oxo-1,2-oxazol-4-yl)methyl]-3-oxo-1,2-oxazolidin-4-yl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[5-methyl-2-[(5-methyl-3-oxo-1,2-oxazol-4-yl)methyl]-3-oxo-1,2-oxazolidin-4-yl]propanoic acid
PubChem CID57347808
Molecular FormulaC12H17N3O6
Molecular Weight299.28 g/mol
Exact Mass299.11
IUPAC Name2-amino-3-[5-methyl-2-[(5-methyl-3-oxo-1,2-oxazol-4-yl)methyl]-3-oxo-1,2-oxazolidin-4-yl]propanoic acid
SMILESCc1o[nH]c(=O)c1CN1OC(C)C(CC(N)C(=O)O)C1=O
InChIInChI=1S/C12H17N3O6/c1-5-8(10(16)14-20-5)4-15-11(17)7(6(2)21-15)3-9(13)12(18)19/h6-7,9H,3-4,13H2,1-2H3,(H,14,16)(H,18,19)
InChIKeyKYZVKROAGDDFRO-UHFFFAOYSA-N
XLogP-0.64
TPSA138.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[5-methyl-2-[(5-methyl-3-oxo-1,2-oxazol-4-yl)methyl]-3-oxo-1,2-oxazolidin-4-yl]propanoic acid?
The IUPAC name of 2-amino-3-[5-methyl-2-[(5-methyl-3-oxo-1,2-oxazol-4-yl)methyl]-3-oxo-1,2-oxazolidin-4-yl]propanoic acid (CID 57347808) is 2-amino-3-[5-methyl-2-[(5-methyl-3-oxo-1,2-oxazol-4-yl)methyl]-3-oxo-1,2-oxazolidin-4-yl]propanoic acid.
What is the SMILES notation for 2-amino-3-[5-methyl-2-[(5-methyl-3-oxo-1,2-oxazol-4-yl)methyl]-3-oxo-1,2-oxazolidin-4-yl]propanoic acid?
The canonical SMILES for 2-amino-3-[5-methyl-2-[(5-methyl-3-oxo-1,2-oxazol-4-yl)methyl]-3-oxo-1,2-oxazolidin-4-yl]propanoic acid is Cc1o[nH]c(=O)c1CN1OC(C)C(CC(N)C(=O)O)C1=O.
What is the InChIKey of 2-amino-3-[5-methyl-2-[(5-methyl-3-oxo-1,2-oxazol-4-yl)methyl]-3-oxo-1,2-oxazolidin-4-yl]propanoic acid?
The InChIKey is KYZVKROAGDDFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O6/c1-5-8(10(16)14-20-5)4-15-11(17)7(6(2)21-15)3-9(13)12(18)19/h6-7,9H,3-4,13H2,1-2H3,(H,14,16)(H,18,19).
What are the key properties of 2-amino-3-[5-methyl-2-[(5-methyl-3-oxo-1,2-oxazol-4-yl)methyl]-3-oxo-1,2-oxazolidin-4-yl]propanoic acid?
2-amino-3-[5-methyl-2-[(5-methyl-3-oxo-1,2-oxazol-4-yl)methyl]-3-oxo-1,2-oxazolidin-4-yl]propanoic acid has a molecular weight of 299.28 g/mol, XLogP of -0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[5-methyl-2-[(5-methyl-3-oxo-1,2-oxazol-4-yl)methyl]-3-oxo-1,2-oxazolidin-4-yl]propanoic acid is sourced from PubChem (CID 57347808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).