2-[2-methoxyethyl-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid

C14H17N5O5 — CID 119189019

IUPAC2-[2-methoxyethyl-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)CCc1nc(-c2ncccn2)no1
InChIInChI=1S/C14H17N5O5/c1-23-8-7-19(9-12(21)22)11(20)4-3-10-17-14(18-24-10)13-15-5-2-6-16-13/h2,5-6H,3-4,7-9H2,1H3,(H,21,22)
InChIKeyIWIVGMBRQFTRSY-UHFFFAOYSA-N
MW335.32 g/mol
LogP0.02
Rot. Bonds9

About 2-[2-methoxyethyl-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid

2-[2-methoxyethyl-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid (PubChem CID 119189019) has the molecular formula C14H17N5O5 and a molecular weight of 335.32 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid
PubChem CID119189019
Molecular FormulaC14H17N5O5
Molecular Weight335.32 g/mol
Exact Mass335.12
IUPAC Name2-[2-methoxyethyl-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)CCc1nc(-c2ncccn2)no1
InChIInChI=1S/C14H17N5O5/c1-23-8-7-19(9-12(21)22)11(20)4-3-10-17-14(18-24-10)13-15-5-2-6-16-13/h2,5-6H,3-4,7-9H2,1H3,(H,21,22)
InChIKeyIWIVGMBRQFTRSY-UHFFFAOYSA-N
XLogP0.02
TPSA131.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[ethyl-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid
CID 119205870
2-[2-methoxyethyl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid
CID 119189502
2-[cyclopropyl-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid
CID 119194704
N-(2-amino-2-oxoethyl)-N-(2-methoxyethyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 71881004
2-[2-methoxyethyl-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]amino]acetic acid
CID 119188959
N,N-dipropyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 78869082
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 113339840
methyl 3-[2-methoxyethyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]propanoate
CID 78959151
2-[2-methoxyethyl-[2-(1,2-oxazol-3-yl)acetyl]amino]acetic acid
CID 119189305
2-[2-methoxyethyl-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]acetic acid
CID 119348135
2-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid
CID 61313488
2-[3-(3,5-dimethoxyphenyl)propanoyl-(2-methoxyethyl)amino]acetic acid
CID 119189335

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid (CID 119189019) is 2-[2-methoxyethyl-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid is COCCN(CC(=O)O)C(=O)CCc1nc(-c2ncccn2)no1.
What is the InChIKey of 2-[2-methoxyethyl-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid?
The InChIKey is IWIVGMBRQFTRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O5/c1-23-8-7-19(9-12(21)22)11(20)4-3-10-17-14(18-24-10)13-15-5-2-6-16-13/h2,5-6H,3-4,7-9H2,1H3,(H,21,22).
What are the key properties of 2-[2-methoxyethyl-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid?
2-[2-methoxyethyl-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid has a molecular weight of 335.32 g/mol, XLogP of 0.02, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid is sourced from PubChem (CID 119189019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).