4-[methyl-[2-(3-methyl-1,2-oxazol-4-yl)acetyl]amino]butanoic acid

C11H16N2O4 — CID 110836962

IUPAC4-[methyl-[2-(3-methyl-1,2-oxazol-4-yl)acetyl]amino]butanoic acid
SMILESCc1nocc1CC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C11H16N2O4/c1-8-9(7-17-12-8)6-10(14)13(2)5-3-4-11(15)16/h7H,3-6H2,1-2H3,(H,15,16)
InChIKeyHZIVCMSMEFUSEW-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.85
Rot. Bonds6

About 4-[methyl-[2-(3-methyl-1,2-oxazol-4-yl)acetyl]amino]butanoic acid

4-[methyl-[2-(3-methyl-1,2-oxazol-4-yl)acetyl]amino]butanoic acid (PubChem CID 110836962) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-[methyl-[2-(3-methyl-1,2-oxazol-4-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-[2-(3-methyl-1,2-oxazol-4-yl)acetyl]amino]butanoic acid
PubChem CID110836962
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name4-[methyl-[2-(3-methyl-1,2-oxazol-4-yl)acetyl]amino]butanoic acid
SMILESCc1nocc1CC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C11H16N2O4/c1-8-9(7-17-12-8)6-10(14)13(2)5-3-4-11(15)16/h7H,3-6H2,1-2H3,(H,15,16)
InChIKeyHZIVCMSMEFUSEW-UHFFFAOYSA-N
XLogP0.85
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(3,5-dimethylphenyl)acetyl]-methylamino]butanoic acid
CID 110834563
4-[methyl-[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]butanoic acid
CID 43092357
4-[[2-(4-hydroxyphenyl)acetyl]-methylamino]butanoic acid
CID 43329651
4-[methyl-(2-pyridin-3-ylacetyl)amino]butanoic acid
CID 62691218
4-[[2-[2-(difluoromethylsulfanyl)-4-methyl-1,3-thiazol-5-yl]acetyl]-methylamino]butanoic acid
CID 167785537
4-[[2-(5-chloro-2-methoxyphenyl)acetyl]-methylamino]butanoic acid
CID 43092874
4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-methylamino]butanoic acid
CID 43240409
4-[methyl-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]butanoic acid
CID 119347045
4-[methyl-(5-methyl-1,3-oxazole-4-carbonyl)amino]butanoic acid
CID 119347108
4-[[1H-imidazol-2-ylmethyl(methyl)carbamoyl]-methylamino]butanoic acid
CID 64518115
4-[methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]butanoic acid
CID 43240383
3-[methyl-[2-(5-methyl-1H-pyrazol-3-yl)acetyl]amino]propanoic acid
CID 110836645

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[2-(3-methyl-1,2-oxazol-4-yl)acetyl]amino]butanoic acid?
The IUPAC name of 4-[methyl-[2-(3-methyl-1,2-oxazol-4-yl)acetyl]amino]butanoic acid (CID 110836962) is 4-[methyl-[2-(3-methyl-1,2-oxazol-4-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 4-[methyl-[2-(3-methyl-1,2-oxazol-4-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 4-[methyl-[2-(3-methyl-1,2-oxazol-4-yl)acetyl]amino]butanoic acid is Cc1nocc1CC(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[methyl-[2-(3-methyl-1,2-oxazol-4-yl)acetyl]amino]butanoic acid?
The InChIKey is HZIVCMSMEFUSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-8-9(7-17-12-8)6-10(14)13(2)5-3-4-11(15)16/h7H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 4-[methyl-[2-(3-methyl-1,2-oxazol-4-yl)acetyl]amino]butanoic acid?
4-[methyl-[2-(3-methyl-1,2-oxazol-4-yl)acetyl]amino]butanoic acid has a molecular weight of 240.26 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[2-(3-methyl-1,2-oxazol-4-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 110836962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).