5-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

C9H13N3O5 — CID 107427055

IUPAC5-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCC(C)(NC(=O)C1CC(C(=O)O)=NO1)C(N)=O
InChIInChI=1S/C9H13N3O5/c1-9(2,8(10)16)11-6(13)5-3-4(7(14)15)12-17-5/h5H,3H2,1-2H3,(H2,10,16)(H,11,13)(H,14,15)
InChIKeyVPSRPFHMVNZJKM-UHFFFAOYSA-N
MW243.22 g/mol
LogP-1.40
Rot. Bonds4

About 5-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

5-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 107427055) has the molecular formula C9H13N3O5 and a molecular weight of 243.22 g/mol. Its IUPAC name is 5-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
PubChem CID107427055
Molecular FormulaC9H13N3O5
Molecular Weight243.22 g/mol
Exact Mass243.09
IUPAC Name5-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCC(C)(NC(=O)C1CC(C(=O)O)=NO1)C(N)=O
InChIInChI=1S/C9H13N3O5/c1-9(2,8(10)16)11-6(13)5-3-4(7(14)15)12-17-5/h5H,3H2,1-2H3,(H2,10,16)(H,11,13)(H,14,15)
InChIKeyVPSRPFHMVNZJKM-UHFFFAOYSA-N
XLogP-1.40
TPSA131.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 107427055) is 5-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is CC(C)(NC(=O)C1CC(C(=O)O)=NO1)C(N)=O.
What is the InChIKey of 5-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The InChIKey is VPSRPFHMVNZJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O5/c1-9(2,8(10)16)11-6(13)5-3-4(7(14)15)12-17-5/h5H,3H2,1-2H3,(H2,10,16)(H,11,13)(H,14,15).
What are the key properties of 5-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
5-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 243.22 g/mol, XLogP of -1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 107427055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).