2-[2-methoxyethyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid

C12H19N3O5 — CID 106389409

IUPAC2-[2-methoxyethyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)NC(C)c1ncc(C)o1
InChIInChI=1S/C12H19N3O5/c1-8-6-13-11(20-8)9(2)14-12(18)15(4-5-19-3)7-10(16)17/h6,9H,4-5,7H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyBGKBYSBARIUFDZ-UHFFFAOYSA-N
MW285.30 g/mol
LogP0.79
Rot. Bonds7

About 2-[2-methoxyethyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid

2-[2-methoxyethyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid (PubChem CID 106389409) has the molecular formula C12H19N3O5 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid
PubChem CID106389409
Molecular FormulaC12H19N3O5
Molecular Weight285.30 g/mol
Exact Mass285.13
IUPAC Name2-[2-methoxyethyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)NC(C)c1ncc(C)o1
InChIInChI=1S/C12H19N3O5/c1-8-6-13-11(20-8)9(2)14-12(18)15(4-5-19-3)7-10(16)17/h6,9H,4-5,7H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyBGKBYSBARIUFDZ-UHFFFAOYSA-N
XLogP0.79
TPSA104.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[carboxymethyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid
CID 106389320
1-ethyl-1-methyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]urea
CID 103952282
2-[3-ethylpentan-2-ylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79271931
2-[2-methoxyethyl(4-methylpentan-2-ylcarbamoyl)amino]acetic acid
CID 79271343
2-[(1-amino-1-oxopropan-2-yl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272265
(2R)-2-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]butanedioic acid
CID 106389255
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-sulfanylacetamide
CID 106390070
2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79271724
6-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoylamino]-6-oxohexanoic acid
CID 106388731
2-[2-methoxyethyl-[(2-methyl-1-thiophen-2-ylpropyl)carbamoyl]amino]acetic acid
CID 79270902
2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
CID 106388094
3-chloro-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
CID 106388092

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid (CID 106389409) is 2-[2-methoxyethyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid is COCCN(CC(=O)O)C(=O)NC(C)c1ncc(C)o1.
What is the InChIKey of 2-[2-methoxyethyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid?
The InChIKey is BGKBYSBARIUFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5/c1-8-6-13-11(20-8)9(2)14-12(18)15(4-5-19-3)7-10(16)17/h6,9H,4-5,7H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 2-[2-methoxyethyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid?
2-[2-methoxyethyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid has a molecular weight of 285.30 g/mol, XLogP of 0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 106389409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).