3-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid

C11H16N2O4 — CID 43209831

IUPAC3-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
SMILESCCC(C)C(NC(=O)c1cc(C)no1)C(=O)O
InChIInChI=1S/C11H16N2O4/c1-4-6(2)9(11(15)16)12-10(14)8-5-7(3)13-17-8/h5-6,9H,4H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyUQUOCSCDNSLJQX-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.21
Rot. Bonds5

About 3-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid

3-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid (PubChem CID 43209831) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
PubChem CID43209831
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name3-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
SMILESCCC(C)C(NC(=O)c1cc(C)no1)C(=O)O
InChIInChI=1S/C11H16N2O4/c1-4-6(2)9(11(15)16)12-10(14)8-5-7(3)13-17-8/h5-6,9H,4H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyUQUOCSCDNSLJQX-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 43209737
3-methyl-2-[(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 119212226
3-methyl-2-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]pentanoic acid
CID 119212192
(2R)-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]propanoic acid
CID 28777806
(2S,3S)-3-methyl-2-[(4-methyl-1,3-oxazole-2-carbonyl)amino]pentanoic acid
CID 110835139
N-[(2S)-1-hydroxybutan-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 104981056
4-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 61242547
N-(1,3-dihydroxypropan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 65314948
N-(4-chlorobutan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 83188576
(2S,3S)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-methylpentanoic acid
CID 61132680
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 51262709
(2S)-3-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid
CID 61174671

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid?
The IUPAC name of 3-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid (CID 43209831) is 3-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 3-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid?
The canonical SMILES for 3-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid is CCC(C)C(NC(=O)c1cc(C)no1)C(=O)O.
What is the InChIKey of 3-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid?
The InChIKey is UQUOCSCDNSLJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-4-6(2)9(11(15)16)12-10(14)8-5-7(3)13-17-8/h5-6,9H,4H2,1-3H3,(H,12,14)(H,15,16).
What are the key properties of 3-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid?
3-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid has a molecular weight of 240.26 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 43209831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).