4-amino-5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-5-oxopentanoic acid

C11H17N3O4 — CID 106371131

IUPAC4-amino-5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-5-oxopentanoic acid
SMILESCCc1cnc(CNC(=O)C(N)CCC(=O)O)o1
InChIInChI=1S/C11H17N3O4/c1-2-7-5-13-9(18-7)6-14-11(17)8(12)3-4-10(15)16/h5,8H,2-4,6,12H2,1H3,(H,14,17)(H,15,16)
InChIKeyAZNKOJPJRJNXLN-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.05
Rot. Bonds7

About 4-amino-5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-5-oxopentanoic acid

4-amino-5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-5-oxopentanoic acid (PubChem CID 106371131) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 4-amino-5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-5-oxopentanoic acid
PubChem CID106371131
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name4-amino-5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-5-oxopentanoic acid
SMILESCCc1cnc(CNC(=O)C(N)CCC(=O)O)o1
InChIInChI=1S/C11H17N3O4/c1-2-7-5-13-9(18-7)6-14-11(17)8(12)3-4-10(15)16/h5,8H,2-4,6,12H2,1H3,(H,14,17)(H,15,16)
InChIKeyAZNKOJPJRJNXLN-UHFFFAOYSA-N
XLogP0.05
TPSA118.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butanediamide
CID 106370829
(2S)-2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106371001
2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3,3-dimethylbutanamide
CID 106370818
4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylbutanamide
CID 106370868
4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-phenylbutanamide
CID 106370852
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methyl-2-sulfanylbutanamide
CID 106377749
3-(5-ethyl-1,3-oxazol-2-yl)propanoic acid
CID 84653363
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide
CID 103797047
3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propanamide
CID 106371045
2-amino-2-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butanamide
CID 106370796
2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid
CID 106374246
3-[ethyl-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]amino]butanoic acid
CID 106373938

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-5-oxopentanoic acid (CID 106371131) is 4-amino-5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-5-oxopentanoic acid is CCc1cnc(CNC(=O)C(N)CCC(=O)O)o1.
What is the InChIKey of 4-amino-5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-5-oxopentanoic acid?
The InChIKey is AZNKOJPJRJNXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-2-7-5-13-9(18-7)6-14-11(17)8(12)3-4-10(15)16/h5,8H,2-4,6,12H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 4-amino-5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-5-oxopentanoic acid?
4-amino-5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-5-oxopentanoic acid has a molecular weight of 255.27 g/mol, XLogP of 0.05, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-5-oxopentanoic acid is sourced from PubChem (CID 106371131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).