2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)-(2-morpholin-4-ylethyl)amino]propanoic acid

C14H23N3O4 — CID 82320054

IUPAC2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)-(2-morpholin-4-ylethyl)amino]propanoic acid
SMILESCc1cc(N(CCN2CCOCC2)CC(C)C(=O)O)no1
InChIInChI=1S/C14H23N3O4/c1-11(14(18)19)10-17(13-9-12(2)21-15-13)4-3-16-5-7-20-8-6-16/h9,11H,3-8,10H2,1-2H3,(H,18,19)
InChIKeyMWIVGSSKJRFTKV-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.84
Rot. Bonds7

About 2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)-(2-morpholin-4-ylethyl)amino]propanoic acid

2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)-(2-morpholin-4-ylethyl)amino]propanoic acid (PubChem CID 82320054) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)-(2-morpholin-4-ylethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)-(2-morpholin-4-ylethyl)amino]propanoic acid
PubChem CID82320054
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)-(2-morpholin-4-ylethyl)amino]propanoic acid
SMILESCc1cc(N(CCN2CCOCC2)CC(C)C(=O)O)no1
InChIInChI=1S/C14H23N3O4/c1-11(14(18)19)10-17(13-9-12(2)21-15-13)4-3-16-5-7-20-8-6-16/h9,11H,3-8,10H2,1-2H3,(H,18,19)
InChIKeyMWIVGSSKJRFTKV-UHFFFAOYSA-N
XLogP0.84
TPSA79.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)-(2-morpholin-4-ylethyl)amino]propanoic acid with MolForge

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Launch Full Analysis

Related Compounds

Acetic acid;[1-(5-methyl-1,2-oxazol-3-yl)piperidin-4-yl] 2,2,2-trifluoroacetate
CID 66880529
[1-(5-Methyl-1,2-oxazol-3-yl)piperidin-4-yl] 2,2,2-trifluoroacetate
CID 66880530
5-Methyl-3-[2-[(2-methylpropan-2-yl)oxymethyl]piperazin-1-yl]-1,2-oxazole
CID 59674917
4-(5-Methyl-1,2-oxazol-3-yl)morpholine
CID 85978404
5-Methyl-3-(4-methylpiperazin-1-yl)-1,2-oxazole
CID 134582638
ethyl 2-[[(Z)-[amino-(3-piperazin-1-yl-1,2-oxazol-5-yl)methylidene]amino]diazenyl]acetate
CID 144041344
Ethane;4-(5-methyl-1,2-oxazol-3-yl)morpholine
CID 168168627
ethane;N-ethyl-N-(2-methoxyethyl)-5-methyl-1,2-oxazol-3-amine
CID 168168814
2-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)propanamide
CID 814054
Ethyl 2-[[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-(2-methylpropyl)carbamoyl]amino]acetate
CID 3332768
2-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(2-morpholin-4-ium-4-ylethyl)propanamide
CID 6946209
Tert-butyl 2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetate
CID 30666653

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)-(2-morpholin-4-ylethyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)-(2-morpholin-4-ylethyl)amino]propanoic acid (CID 82320054) is 2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)-(2-morpholin-4-ylethyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)-(2-morpholin-4-ylethyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)-(2-morpholin-4-ylethyl)amino]propanoic acid is Cc1cc(N(CCN2CCOCC2)CC(C)C(=O)O)no1.
What is the InChIKey of 2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)-(2-morpholin-4-ylethyl)amino]propanoic acid?
The InChIKey is MWIVGSSKJRFTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-11(14(18)19)10-17(13-9-12(2)21-15-13)4-3-16-5-7-20-8-6-16/h9,11H,3-8,10H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)-(2-morpholin-4-ylethyl)amino]propanoic acid?
2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)-(2-morpholin-4-ylethyl)amino]propanoic acid has a molecular weight of 297.36 g/mol, XLogP of 0.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)-(2-morpholin-4-ylethyl)amino]propanoic acid is sourced from PubChem (CID 82320054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).