2-[2-methoxyethyl-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]acetic acid

C14H22N2O5 — CID 119189824

IUPAC2-[2-methoxyethyl-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]acetic acid
SMILESCCC(CC)c1cc(C(=O)N(CCOC)CC(=O)O)on1
InChIInChI=1S/C14H22N2O5/c1-4-10(5-2)11-8-12(21-15-11)14(19)16(6-7-20-3)9-13(17)18/h8,10H,4-7,9H2,1-3H3,(H,17,18)
InChIKeyYVOVSEVMJLIWKU-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.75
Rot. Bonds9

About 2-[2-methoxyethyl-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]acetic acid

2-[2-methoxyethyl-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]acetic acid (PubChem CID 119189824) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-[2-methoxyethyl-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]acetic acid
PubChem CID119189824
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name2-[2-methoxyethyl-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]acetic acid
SMILESCCC(CC)c1cc(C(=O)N(CCOC)CC(=O)O)on1
InChIInChI=1S/C14H22N2O5/c1-4-10(5-2)11-8-12(21-15-11)14(19)16(6-7-20-3)9-13(17)18/h8,10H,4-7,9H2,1-3H3,(H,17,18)
InChIKeyYVOVSEVMJLIWKU-UHFFFAOYSA-N
XLogP1.75
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5,6-dimethyl-1-benzofuran-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 119189822
3-methyl-2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 119212226
2-[2-methoxyethyl-(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]acetic acid
CID 119189294
2-[bis(2-methoxyethyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272631
3-[butan-2-yl(2-methoxyethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369440
2-[(3-ethyl-6-methylpyridazine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 104669556
N-[3-(methylamino)propyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide
CID 119429935
2-[[(4-ethylphenyl)-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79269819
2-[2-methoxyethyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetic acid
CID 80733581
2-[2-methoxyethyl-(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid
CID 119189710
N-(2-cyanoethyl)-N-(2-methoxyethyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 63237259
2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid
CID 54969089

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]acetic acid (CID 119189824) is 2-[2-methoxyethyl-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]acetic acid is CCC(CC)c1cc(C(=O)N(CCOC)CC(=O)O)on1.
What is the InChIKey of 2-[2-methoxyethyl-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]acetic acid?
The InChIKey is YVOVSEVMJLIWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-4-10(5-2)11-8-12(21-15-11)14(19)16(6-7-20-3)9-13(17)18/h8,10H,4-7,9H2,1-3H3,(H,17,18).
What are the key properties of 2-[2-methoxyethyl-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]acetic acid?
2-[2-methoxyethyl-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]acetic acid has a molecular weight of 298.34 g/mol, XLogP of 1.75, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 119189824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).