5-[(2-amino-2-oxoethyl)-butylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

C11H17N3O5 — CID 107427001

IUPAC5-[(2-amino-2-oxoethyl)-butylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCCCCN(CC(N)=O)C(=O)C1CC(C(=O)O)=NO1
InChIInChI=1S/C11H17N3O5/c1-2-3-4-14(6-9(12)15)10(16)8-5-7(11(17)18)13-19-8/h8H,2-6H2,1H3,(H2,12,15)(H,17,18)
InChIKeyCGYZYGXGCUQVQF-UHFFFAOYSA-N
MW271.27 g/mol
LogP-0.67
Rot. Bonds7

About 5-[(2-amino-2-oxoethyl)-butylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid

5-[(2-amino-2-oxoethyl)-butylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (PubChem CID 107427001) has the molecular formula C11H17N3O5 and a molecular weight of 271.27 g/mol. Its IUPAC name is 5-[(2-amino-2-oxoethyl)-butylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-amino-2-oxoethyl)-butylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
PubChem CID107427001
Molecular FormulaC11H17N3O5
Molecular Weight271.27 g/mol
Exact Mass271.12
IUPAC Name5-[(2-amino-2-oxoethyl)-butylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
SMILESCCCCN(CC(N)=O)C(=O)C1CC(C(=O)O)=NO1
InChIInChI=1S/C11H17N3O5/c1-2-3-4-14(6-9(12)15)10(16)8-5-7(11(17)18)13-19-8/h8H,2-6H2,1H3,(H2,12,15)(H,17,18)
InChIKeyCGYZYGXGCUQVQF-UHFFFAOYSA-N
XLogP-0.67
TPSA122.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-amino-2-oxoethyl)-ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427626
5-[butan-2-yl(butyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107426993
5-[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107426978
5-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107426890
5-(heptan-2-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107426902
N-(2-amino-2-oxoethyl)-N-butyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 60946313
5-(3-butoxypropylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427532
5-[methyl(thiophen-2-ylmethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107426756
5-[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427011
2-[(2-amino-2-oxoethyl)-(dibutylcarbamoyl)amino]acetic acid
CID 107437530
5-ethyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 105428413
N-(2-amino-2-oxoethyl)-2-hydroxy-N-pentylcyclopentane-1-carboxamide
CID 110026504

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-2-oxoethyl)-butylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[(2-amino-2-oxoethyl)-butylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid (CID 107427001) is 5-[(2-amino-2-oxoethyl)-butylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[(2-amino-2-oxoethyl)-butylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[(2-amino-2-oxoethyl)-butylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is CCCCN(CC(N)=O)C(=O)C1CC(C(=O)O)=NO1.
What is the InChIKey of 5-[(2-amino-2-oxoethyl)-butylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
The InChIKey is CGYZYGXGCUQVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5/c1-2-3-4-14(6-9(12)15)10(16)8-5-7(11(17)18)13-19-8/h8H,2-6H2,1H3,(H2,12,15)(H,17,18).
What are the key properties of 5-[(2-amino-2-oxoethyl)-butylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid?
5-[(2-amino-2-oxoethyl)-butylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid has a molecular weight of 271.27 g/mol, XLogP of -0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-2-oxoethyl)-butylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 107427001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).