4-methyl-4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]pentanoic acid

C11H16N2O4 — CID 81362881

IUPAC4-methyl-4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]pentanoic acid
SMILESCc1ncoc1C(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C11H16N2O4/c1-7-9(17-6-12-7)10(16)13-11(2,3)5-4-8(14)15/h6H,4-5H2,1-3H3,(H,13,16)(H,14,15)
InChIKeySXOHGUYMIONZSF-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.36
Rot. Bonds5

About 4-methyl-4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]pentanoic acid

4-methyl-4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]pentanoic acid (PubChem CID 81362881) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-methyl-4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]pentanoic acid
PubChem CID81362881
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name4-methyl-4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]pentanoic acid
SMILESCc1ncoc1C(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C11H16N2O4/c1-7-9(17-6-12-7)10(16)13-11(2,3)5-4-8(14)15/h6H,4-5H2,1-3H3,(H,13,16)(H,14,15)
InChIKeySXOHGUYMIONZSF-UHFFFAOYSA-N
XLogP1.36
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-4-(pyridine-4-carbonylamino)pentanoic acid
CID 62043256
4-methyl-4-[[4-(1,2,4-oxadiazol-3-yl)benzoyl]amino]pentanoic acid
CID 119357421
4-[(1,3-dimethylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 103790571
4-[(3,5-dimethylbenzoyl)amino]-4-methylpentanoic acid
CID 62041965
4-[[4-(hydroxymethyl)benzoyl]amino]-4-methylpentanoic acid
CID 62041548
4-[(2,3-dihydroxybenzoyl)amino]-4-methylpentanoic acid
CID 114343317
4-methyl-4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
CID 62041995
4-[(5-bromofuran-3-carbonyl)amino]-4-methylpentanoic acid
CID 119204071
4-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]-4-methylpentanoic acid
CID 119204062
4-methyl-4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
CID 62043932
N-(2-chloro-4,4-dimethylpentyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 107157028
4-[(2,6-dimethoxybenzoyl)amino]-4-methylpentanoic acid
CID 62041534

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]pentanoic acid (CID 81362881) is 4-methyl-4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]pentanoic acid is Cc1ncoc1C(=O)NC(C)(C)CCC(=O)O.
What is the InChIKey of 4-methyl-4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]pentanoic acid?
The InChIKey is SXOHGUYMIONZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-7-9(17-6-12-7)10(16)13-11(2,3)5-4-8(14)15/h6H,4-5H2,1-3H3,(H,13,16)(H,14,15).
What are the key properties of 4-methyl-4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]pentanoic acid?
4-methyl-4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]pentanoic acid has a molecular weight of 240.26 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[(4-methyl-1,3-oxazole-5-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 81362881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).