4-methyl-2-[[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]methyl]pentanoic acid

C13H21N3O5 — CID 119253072

IUPAC4-methyl-2-[[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]methyl]pentanoic acid
SMILESCc1noc(COCC(=O)NCC(CC(C)C)C(=O)O)n1
InChIInChI=1S/C13H21N3O5/c1-8(2)4-10(13(18)19)5-14-11(17)6-20-7-12-15-9(3)16-21-12/h8,10H,4-7H2,1-3H3,(H,14,17)(H,18,19)
InChIKeyLZHSXVGYEFARRV-UHFFFAOYSA-N
MW299.33 g/mol
LogP0.76
Rot. Bonds9

About 4-methyl-2-[[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]methyl]pentanoic acid

4-methyl-2-[[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]methyl]pentanoic acid (PubChem CID 119253072) has the molecular formula C13H21N3O5 and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-methyl-2-[[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]methyl]pentanoic acid
PubChem CID119253072
Molecular FormulaC13H21N3O5
Molecular Weight299.33 g/mol
Exact Mass299.15
IUPAC Name4-methyl-2-[[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]methyl]pentanoic acid
SMILESCc1noc(COCC(=O)NCC(CC(C)C)C(=O)O)n1
InChIInChI=1S/C13H21N3O5/c1-8(2)4-10(13(18)19)5-14-11(17)6-20-7-12-15-9(3)16-21-12/h8,10H,4-7H2,1-3H3,(H,14,17)(H,18,19)
InChIKeyLZHSXVGYEFARRV-UHFFFAOYSA-N
XLogP0.76
TPSA114.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-methyl-2-[[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]methyl]pentanoic acid with MolForge

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Related Compounds

3-methyl-2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]butanoic acid
CID 119170018
2-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]methyl]pentanoic acid
CID 65218977
N-(2-hydroxy-4-methylpentyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 103771595
(2S)-4-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
CID 61154132
2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]pentanoic acid
CID 106420645
4-methyl-2-[[[2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]amino]methyl]pentanoic acid
CID 119253201
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid
CID 106414068
(2R)-4-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]pentanoic acid
CID 78977210
N-(5-acetamidononyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide
CID 163977516
3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]-2-phenylpropanoic acid
CID 119254469
2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid
CID 61312303
4-methyl-2-[[[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]methyl]pentanoic acid
CID 119253439

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]methyl]pentanoic acid?
The IUPAC name of 4-methyl-2-[[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]methyl]pentanoic acid (CID 119253072) is 4-methyl-2-[[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]methyl]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]methyl]pentanoic acid is Cc1noc(COCC(=O)NCC(CC(C)C)C(=O)O)n1.
What is the InChIKey of 4-methyl-2-[[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]methyl]pentanoic acid?
The InChIKey is LZHSXVGYEFARRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O5/c1-8(2)4-10(13(18)19)5-14-11(17)6-20-7-12-15-9(3)16-21-12/h8,10H,4-7H2,1-3H3,(H,14,17)(H,18,19).
What are the key properties of 4-methyl-2-[[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]methyl]pentanoic acid?
4-methyl-2-[[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]methyl]pentanoic acid has a molecular weight of 299.33 g/mol, XLogP of 0.76, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 119253072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).